2-Naphthol
PubChem CID: 8663
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| Compound Synonyms | 2-NAPHTHOL, naphthalen-2-ol, 135-19-3, beta-naphthol, 2-Naphthalenol, Betanaphthol, 2-Hydroxynaphthalene, Isonaphthol, Developer A, Developer BN, Naphthol B, 2-Naphtol, Azogen developer A, beta-Naphtol, beta-Napthol, Developer AMS, 2-Naftolo, beta-Hydroxynaphthalene, 2-Naftol, Developer sodium, C.I. Developer 5, .beta.-Naphthol, beta-Naftolo, beta-Monoxynaphthalene, beta-Naftol, beta-Naphthyl alcohol, beta-Naphthyl hydroxide, NAPHTHOL, BETA, 2-Naftol [Dutch], beta-Naftol [Dutch], 2-Naphtol [French], Caswell No. 590, C.I. Azoic Coupling Component 1, 2-Naftolo [Italian], Antioxygene BN, beta-Naphtol [German], beta-Naftolo [Italian], .beta.-Hydroxynaphthalene, Betanaphthol [NF], NSC 2044, MFCD00004067, C.I. 37500, Hydronaphthol, HSDB 6812, UNII-P2Z71CIK5H, .beta.-Naftolo, .beta.-Naphtol, .beta.-Napthol, .beta.-Naftol, naphth-2-ol, EINECS 205-182-7, P2Z71CIK5H, EPA Pesticide Chemical Code 010301, 2-Naphthol(Flakes or Chunks), DTXSID5027061, CHEBI:10432, AI3-00081, beta.-hydroxynaphthalene, .beta.-Naphthyl alcohol, .beta.-Monoxynaphthalene, NSC-2044, BETANAPHTHOL [II], .beta.-Naphthyl hydroxide, 2-NAPHTHOL [MI], BETANAPHTHOL [HSDB], BETANAPHTHOL [MART.], BETANAPHTHOL [WHO-DD], CHEMBL14126, DTXCID907061, Naphthalen-2-ol (beta-Naphthol), EC 205-182-7, 2-Naftol (Dutch), beta-Naftol (Dutch), 2-Naphtol (French), 2-Naftolo (Italian), beta-Naphtol (German), beta-Naftolo (Italian), TOLNAFTATE IMPURITY A [EP IMPURITY], BETANAPHTHOL (II), BETANAPHTHOL (MART.), 2-Napththol, CAS-135-19-3, TOLNAFTATE IMPURITY A (EP IMPURITY), betanapthol, betaNaftol, betaNaftolo, betaNaphtol, Naphthols, 2Naphthalenol, 2Naftolo, 2Naphtol, 2Naftol, 2-napthol, napthalen-2-ol, 2-naphthylalcohol, 2hydroxynaphthalene, Naphthol, .beta., 03V, betaNaphthyl alcohol, betaMonoxynaphthalene, EINECS 215-322-9, betaHydroxynaphthalene, betaNaphthyl hydroxide, 2-hydroxy naphthalene, 2-Naphthol, Reagent, 2-Naphthol, Purified, BRN 1817321, 2-Naphthol, 98%, 2-Naphthol, 99%, Naphth-2-ol, 10, Microcidin (Salt/Mix), 2-Naphthol, 98.5%, 2-NAPHTHOL [INCI], SCHEMBL28781, WLN: L66J CQ, SGCUT00131, 2-Naphthol, LR, >=98%, C.I.Azoic Coupling Component 1, NSC2044, 4b32, Sodium 2-naphthoxide (Salt/Mix), HMS3264N15, Pharmakon1600-01504501, HY-Y0110, to_000010, Tox21_201884, Tox21_303038, BDBM50159250, NSC758883, s6035, STL281866, AKOS000119842, CCG-213932, FN01578, HR-0304, NSC-758883, 2-Naphthol, purum, >=98.0% (GC), NCGC00249132-01, NCGC00257077-01, NCGC00259433-01, AC-10464, 2-Naphthol, BioXtra, >=99.0% (GC), SBI-0207084.P001, 2-Naphthol, SAJ first grade, >=98.0%, CS-0008403, N0027, NS00003415, EN300-18025, 2-Naphthol, fluorescence indicator, >=99.0%, D86186, AB01314260_03, 4-06-00-04208 (Beilstein Handbook Reference), A806896, AB-131/40299865, Q949232, SR-01000872753, SR-01000872753-1, BRD-K21164796-001-01-0, BRD-K21164796-001-02-8, Z57127515, F0001-0455, 205-182-7, 26716-78-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | Occcccc6)cccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Naphthalenes |
| Description | Trace constituent of essential oils 2-Naphthol is a colorless crystalline solid and an isomer of 1-naphthol, differing by the location of the hydroxyl group on naphthalene. The naphthols are naphthalene homologues of phenol, with the hydroxyl group being more reactive than in the phenols. 2-Naphthol has several different uses including dyes, pigments, fats, oils, insecticides, pharmaceuticals, perfumes, antiseptics, synthesis of fungicides, and antioxidants for rubber. Detection of 2-Naphthol in urine usually results from long-term persistent exposure to pesticides such as chlorpyrifos, but also due to exposure to naphthalene in older types of mothballs, fires that produce polyaromatic hydrocarbons (PAHs), and tobacco smoke., 2-Naphthol, or ?-naphthol, is a colorless crystalline solid with the formula C10H7OH. It is an isomer of 1-naphthol, differing by the location of the hydroxyl group on naphthalene. The naphthols are naphthalene homologues of phenol, with the hydroxyl group being more reactive than in the phenols. Both isomers are soluble in simple alcohols, ethers, and chloroform. They can be used in the production of dyes and in organic synthesis. For example, 2-naphthol reacts to form BINOL. |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Classyfire Subclass | Naphthols and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P17988, n.a., P05177, P11509, P20852, P22309, Q9HAW8, P22310, P19224, Q9HAW7, O60656, P54855, P0A0J7, P50225, P49888, Q06520, P0DTD1, P10275, Q16236, Q03181, P05412 |
| Iupac Name | naphthalen-2-ol |
| Prediction Hob | 1.0 |
| Class | Naphthalenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT208, NPT240 |
| Xlogp | 2.7 |
| Superclass | Benzenoids |
| Subclass | Naphthols and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H8O |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JWAZRIHNYRIHIV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -2.479 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.892 |
| Synonyms | &beta, -hydroxynaphthalene, &beta, -monoxynaphthalene, &beta, -naftol, &beta, -naftolo, &beta, -naphthol, &beta, -naphthyl alcohol, &beta, -naphthyl hydroxide, &beta, -naphtol, &beta, -naphtol(german), &beta, -napthol, &beta, naphthol, 2-Hydroxynaphthalene, 2-Naftol, 2-Naftolo, 2-Naphthalenol, 2-Naphthalenol, 9CI, 2-naphthol, (1+), 2-naphthol, 1,4,5,8-(14)C4-labeled, 2-naphthol, 7-(14)C-labeled, 2-naphthol, 8-(14)C-labeled, 2-naphthol, bismuth salt, 2-naphthol, magnesium salt, 2-naphthol, potassium salt, 2-naphthol, sodium salt, 2-naphthol, titanium(4+) salt, 2-Naphtol, 2-Napththol, Antioxygene BN, Azogen developer a, b-Hydroxynaphthalene, b-Naphthol, Beta-hydroxynaphthalene, Beta-monoxynaphthalene, Beta-naftol, Beta-naftolo, Beta-naphthol, Beta-naphthyl alcohol, Beta-naphthyl hydroxide, Beta-naphtol, Beta-napthol, Beta.-hydroxynaphthalene, Betanaphthol, C.I. Developer 5, Developer a, Developer ams, Developer BN, Developer sodium, Hydronaphthol, Isonaphthol, naphthalen-2-ol, Naphthalenol, Naphthol b, Naphthol, &beta, , Naphthol, beta, Trimetin, β-hydroxynaphthalene, β-naphthol, beta-Hydroxynaphthalene, beta-Naftol, beta-Naftolo, beta-Naphthol, beta-Naphthyl alcohol, beta-Naphthyl hydroxide, beta-Naphtol, C.I. azoic coupling component 1, C.I. developer 5, Β-hydroxynaphthalene, b-Naftol, Β-naftol, b-Naftolo, Β-naftolo, Β-naphthol, b-Naphthyl alcohol, Β-naphthyl alcohol, b-Naphthyl hydroxide, Β-naphthyl hydroxide, b-Naphtol, Β-naphtol, beta-Monoxynaphthalene, beta-Napthol, 2-Naphthol, 8-(14)C-labeled, 2-Naphthol, magnesium salt, 2-Naphthol, potassium salt, 2-Naphthol, titanium(4+) salt, 2-Naphthol, 7-(14)C-labeled, 2-Naphthol, (1+), 2-Naphthol, 1,4,5,8-(14)C4-labeled, 2-Naphthol, sodium salt, 2-Naphthol, bismuth salt, 2- naphthalenol, beta-naphthol |
| Substituent Name | 2-naphthol, Hydrocarbon derivative, Organooxygen compound, Aromatic homopolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 2-Naphthol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.107599872727273 |
| Inchi | InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H |
| Smiles | C1=CC=C2C=C(C=CC2=C1)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Naphthols and derivatives |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Violaceum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Caulerpa Serrulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Delphinium Shawurense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Fagraea Gracilipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Gutierrezia Lucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Helichrysum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Iryanthera Paraensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Lathyrus Nissolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Leonurus Persicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Magnolia Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Peltogyne Porphyrocardia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Pinus Brutia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Ratibida Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all