1-Naphthol
PubChem CID: 7005
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| Compound Synonyms | 1-NAPHTHOL, naphthalen-1-ol, 90-15-3, alpha-naphthol, 1-Naphthalenol, 1-Hydroxynaphthalene, NAPHTHOL, Furro ER, Fouramine ERN, Fourrine ERN, Tertral ERN, Basf Ursol ERN, Ursol ERN, Fourrine 99, Nako TRB, Zoba ERN, Durafur developer D, alpha-Hydroxynaphthalene, Naphthalenol, .alpha.-Naphthol, C.I. Oxidation Base 33, 1321-67-1, 1-Naphthyl alcohol, a-naphthol, NSC 9586, CI Oxidation Base 33, Naphthol-1, CCRIS 1172, Naphthyl-1-ol, C.I. 76605, .alpha.-Hydroxynaphthalene, HSDB 2650, Naphthol, 1-, EINECS 201-969-4, alpha-Naphthyl alcohol, CHEBI:10319, CI 76605, 1-napthol, AI3-00106, MFCD00003930, UNII-2A71EAQ389, DTXSID6021793, 2A71EAQ389, NSC-9586, 1-NAPHTOL-, 1-NAPHTHOL [MI], 1-NAPHTHOL [HSDB], DULOXETINE IMPURITY D, WLN: L66J BQ, CHEMBL122617, DTXCID401793, SGCUT00118, NSC9586, to_000072, DULOXETINE IMPURITY D [USP IMPURITY], C11714, AB-131/40232333, DULOXETINE HYDROCHLORIDE IMPURITY D [EP IMPURITY], hydroxynaphthalene, CAS-90-15-3, DULOXETINE IMPURITY D (USP IMPURITY), DULOXETINE HYDROCHLORIDE IMPURITY D (EP IMPURITY), alphanaphthol, napthalenol, alpha-napthol, napthyl alcohol, 1Naphthalenol, 1-Naphtyol, naphthalene-1-ol, Naphthol 1, 1-Naphtol, 8 -naphthol, 1hydroxynaphthalene, hydroxy naphthalene, (+)-naphthol, 1NP, nchembio791-comp4, 1-Naphthol, Reagent, alphaHydroxynaphthalene, 1-Naphthol, Purified, Naphth-1-ol, 9, LS-95401, 1-Naphthol (Standard), SCHEMBL3416, 1-NAPHTHOL [INCI], alpha-Naphthol, 1-Naphthol, 33420_RIEDEL, 35825_RIEDEL, N1000_SIAL, N2780_SIAL, 1-Naphthol, Pure PA, 99%, 1-Naphthol, LR, >=99%, 70438_FLUKA, 70442_FLUKA, BDBM23450, HY-Y1309R, 1-Naphthol, BioXtra, >=99%, 4b33, 1-Naphthol, p.a., 99.0%, HY-Y1309, Tox21_202120, Tox21_302768, 1-Naphthol, >=98.0% (GC), BBL011611, MSK000684, STL163337, ZINC00967929, AKOS000118822, CS-W020125, FN07835, GS-6917, 1-Naphthol, ReagentPlus(R), >=99%, Duloxetine EP Impurity D (1-Naphthol), NCGC00249169-01, NCGC00256563-01, NCGC00259669-01, 1ST000684, DB-259778, ST5214429, 1-Naphthol, SAJ special grade, >=99.0%, 1-Naphthol, Vetec(TM) reagent grade, 98%, N0026, N0864, NS00005331, EN300-19501, 1-Naphthol, PESTANAL(R), analytical standard, Q408876, 1-Naphthol, certified reference material, TraceCERT(R), 1-Naphthol, puriss., for fluorescence, >=99.0% (GC), F1908-0108, Z104474036, 1-Naphthol, puriss. p.a., Reag. Ph. Eur., >=99% (GC), 201-969-4, 50356-21-3 |
|---|---|
| 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 | Naphthalenes and derivatives |
| Deep Smiles | Occcccc6cccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Naphthalenes |
| Description | 1-Naphthol, or ?-naphthol, is a colorless crystalline solid with the formula C10H7OH. It is an isomer of 2-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., 1-naphthol (1N) is a metabolite of carbaryl and naphthalene that is an intermediate in Metabolism of xenobiotics by cytochrome P450. It is generated by spontaneous reaction from (1R,2S)-Naphthalene epoxide then is it converted to 1,4-Dihydroxynaphthalene. Although 1-Naphthol is not persistent in the body, a single urine sample may adequately predict exposure over several months to chlorpyrifos, which is a broad-spectrum organophosphate insecticide. In adult men, TCPY and 1N were associated with reduced testosterone levels (PMID: 16357596, 15579421). Naphthalen-1-ol is found in black walnut. |
| 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 | P12527, O62698, P05177, P11509, P20852, P49137, P22309, Q9HAW8, P35503, P22310, P19224, Q9HAW7, Q9HAW9, O60656, Q9Y4X1, P36537, P54855, O75795, P06133, P16662, P10275, Q16236 |
| Iupac Name | naphthalen-1-ol |
| Prediction Hob | 1.0 |
| Class | Naphthalenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT208, NPT240, NPT901 |
| Xlogp | 2.8 |
| 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 | KJCVRFUGPWSIIH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -2.389 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.851 |
| Synonyms | -napthol, &alpha, -hydroxynaphthalene, &alpha, -naphthol, 1-Hydroxynaphthalene, 1-Naphthalenol, 1-Naphthol, 1-naphthol, 1-(14)C-labeled, 1-naphthol, 2-(13)C-labeled, 1-naphthol, ion(1+), 1-naphthol, lithium salt, 1-naphthol, potassium salt, 1-naphthol, sodium salt, 1-Naphthyl alcohol, 1-Napthol, Alpha-hydroxynaphthalene, Alpha-naphthol, alpha-Naphthol, 1-Naphthol, Alpha-naphthyl alcohol, Basf ursol ern, C.I. Oxidation Base 33, CI Oxidation Base 33, Durafur developer d, Fouramine ern, Fourrine 99, Fourrine ern, Furro er, Nako TRB, Naphthol-1, Naphthyl-1-ol, Tertral ern, Ursol ern, Zoba ern, alpha-Hydroxynaphthalene, alpha-Naphthol, a-Hydroxynaphthalene, Α-hydroxynaphthalene, a-Naphthol, Α-naphthol, 1-Naphthol, 1-(14)C-labeled, 1-Naphthol, 2-(13)C-labeled, 1-Naphthol, ion(1+), 1-Naphthol, lithium salt, 1-Naphthol, potassium salt, 1-Naphthol, sodium salt, alpha-Naphthyl alcohol, BASF ursol ern, Durafur developer D, furro ER, nako TRB, 1-naphthalenol |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 1-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 | -3.202099872727273 |
| Inchi | InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H |
| Smiles | C1=CC=C2C(=C1)C=CC=C2O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Naphthols and derivatives |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840