4-Methylbenzyl alcohol
PubChem CID: 11505
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| Compound Synonyms | 4-Methylbenzyl alcohol, 589-18-4, p-Tolylmethanol, (4-Methylphenyl)methanol, p-Tolylcarbinol, P-METHYLBENZYL ALCOHOL, 4-Tolylcarbinol, Benzenemethanol, 4-methyl-, 4-(Hydroxymethyl)toluene, 4-methylbenzylalcohol, Benzyl alcohol, p-methyl-, alpha-Hydroxy-p-xylene, p-Methyl benzyl alcohol, p-Methylbenzylalcohol, p-Toluyl alcohol, 4-methylbenzenemethanol, 4-Methyl-benzenemethanol, p-Methylbenzylalkohol, p-Methylbenzylalkohol [German], NSC 3992, CCRIS 5112, EINECS 209-639-1, a-Hydroxy-p-xylene, UNII-EXZ915A627, BRN 1856550, CHEBI:1895, DTXSID5025574, AI3-09610, HSDB 7615, EXZ915A627, 4-methyl-benzyl alcohol, 4-Methyl benzenemethanol, NSC-3992, 31831-37-5, (4-TOLYL)METHANOL, 4-Methylbenzenemethanol, 9CI, DTXCID205574, 1-hydroxymethyl-4-methylbenzene, 4-Methyl-1-hydroxymethylbenzene, FEMA NO. 4624, 4-Methyl-benzenemethanol (9CI), METHYL BENZYL ALCOHOL, P-, Xylene-alpha-ol, 4-06-00-03171 (Beilstein Handbook Reference), 4-METHYLBENZYL ALCOHOL [HSDB], ar-Methylbenzenemethanol, pTolualcohol, pTolylcarbinol, pToluic alcohol, pToluyl alcohol, 4Tolylcarbinol, p-tolyl-methanol, 4-(Hydroxymethyl)toluene, 4-Methylbenzyl alcohol, p-Methylbenzyl alcohol, p-Tolylcarbinol, 4-Tolyl carbinol, pMethylbenzylalcohol, pMethylbenzylalkohol, 4methylbenzylalcohol, pMethylbenzyl alcohol, MFCD00004664, p-methylbenzylalkoohol, 4Methylbenzenemethanol, Methylbenzylalcohol, p, P-TOLUALCOHOL, pMethyl benzyl alcohol, 4-methyl-benzylalcohol, 4Methyl benzenemethanol, (4Methylphenyl)methanol, 4(Hydroxymethyl)toluene, Benzyl alcohol, pmethyl, P-TOLUIC ALCOHOL, Benzenemethanol, 4methyl, Para-methylbenzyl alcohol, (4-methylphenyl)-methanol, bmse000520, SCHEMBL3337, (4-Methylphenyl)methanol #, 4Methylbenzenemethanol (9CI), CHEMBL90100, 4-Methylbenzyl alcohol, 98%, p-methylbenzylalkoohol (German), NSC3992, Tox21_200089, AKOS000249530, CS-W016577, FM50065, NCGC00091215-01, NCGC00091215-02, NCGC00257643-01, AC-13074, CAS-589-18-4, DB-306080, M0162, NS00012124, EN300-49120, C06757, D77794, Q27067434, 209-639-1, VTG |
|---|---|
| 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 | C1CCCCC1 |
| Deep Smiles | OCcccccc6))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Cosmetic and flavouring ingredient [CCD] |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzyl alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-methylphenyl)methanol |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.6 |
| Superclass | Benzenoids |
| Subclass | Toluenes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | KMTDMTZBNYGUNX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 1-Hydroxymethyl-4-methylbenzene, 4-(Hydroxymethyl)toluene, 4-Methylbenzenemethanol, 9CI, 4-Methylbenzyl alcohol, a-Hydroxy-p-xylene, P-Methylbenzyl alcohol, P-Tolylcarbinol, p-Tolylmethanol, α-hydroxy-P-xylene, 4-Tolylcarbinol, alpha-Hydroxy-p-xylene, p-Methylbenzyl alcohol, p-Tolyl alcohol, p-Tolylcarbinol, Α-hydroxy-p-xylene, 4-Methylbenzenemethanol, 9ci, P-Tolylmethanol, p-methylbenzyl alcohol |
| Substituent Name | Nitrotoluene, Benzyl alcohol, Hydrocarbon derivative, Aromatic alcohol, Primary alcohol, Organooxygen compound, Alcohol, Aromatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 4-Methylbenzyl alcohol |
| Kingdom | Organic compounds |
| Exact Mass | 122.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 122.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3 |
| Smiles | CC1=CC=C(C=C1)CO |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzyl alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Acca Sellowiana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698719 - 2. Outgoing r'ship
FOUND_INto/from Lawsonia Inermis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698554