3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol

C11H14O2 — CID 169453245

IUPAC3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol
SMILESCc1cc(C=CCO)ccc1CO
InChIInChI=1S/C11H14O2/c1-9-7-10(3-2-6-12)4-5-11(9)8-13/h2-5,7,12-13H,6,8H2,1H3
InChIKeyHQIVOLKTRFWNMR-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.49
Rot. Bonds3

About 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol

3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol (PubChem CID 169453245) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol
PubChem CID169453245
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol
SMILESCc1cc(C=CCO)ccc1CO
InChIInChI=1S/C11H14O2/c1-9-7-10(3-2-6-12)4-5-11(9)8-13/h2-5,7,12-13H,6,8H2,1H3
InChIKeyHQIVOLKTRFWNMR-UHFFFAOYSA-N
XLogP1.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
S-[4-[4-(hydroxymethyl)-3-methylphenyl]but-3-enyl] ethanethioate
CID 170480030
(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol
CID 83537442
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
4-(3-hydroxyprop-1-enyl)-2-methylbenzaldehyde
CID 169453244
[2-methyl-5-(4-sulfanylbut-1-enyl)phenyl]methanol
CID 170478236
[5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol
CID 169475402
[5-(3-chloroprop-1-enyl)-2-methylphenyl]methanol
CID 169477252
3-[4-(hydroxymethyl)-3-nitrophenyl]prop-2-en-1-ol
CID 169453917
5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol
CID 139395182
5-(3-hydroxyprop-1-enyl)-2-methylbenzonitrile
CID 169453340
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol?
The IUPAC name of 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol (CID 169453245) is 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol is Cc1cc(C=CCO)ccc1CO.
What is the InChIKey of 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol?
The InChIKey is HQIVOLKTRFWNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-7-10(3-2-6-12)4-5-11(9)8-13/h2-5,7,12-13H,6,8H2,1H3.
What are the key properties of 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol?
3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol is sourced from PubChem (CID 169453245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).