[2-(hydroxymethyl)-3-propylphenyl]methanol

C11H16O2 — CID 118644202

IUPAC[2-(hydroxymethyl)-3-propylphenyl]methanol
SMILESCCCc1cccc(CO)c1CO
InChIInChI=1S/C11H16O2/c1-2-4-9-5-3-6-10(7-12)11(9)8-13/h3,5-6,12-13H,2,4,7-8H2,1H3
InChIKeyCACGGOXMBUQCTP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds4

About [2-(hydroxymethyl)-3-propylphenyl]methanol

[2-(hydroxymethyl)-3-propylphenyl]methanol (PubChem CID 118644202) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-propylphenyl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-propylphenyl]methanol
PubChem CID118644202
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name[2-(hydroxymethyl)-3-propylphenyl]methanol
SMILESCCCc1cccc(CO)c1CO
InChIInChI=1S/C11H16O2/c1-2-4-9-5-3-6-10(7-12)11(9)8-13/h3,5-6,12-13H,2,4,7-8H2,1H3
InChIKeyCACGGOXMBUQCTP-UHFFFAOYSA-N
XLogP1.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(hydroxymethyl)-3-propylphenyl]methanol 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

1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one
CID 70506977
[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride
CID 170914048
2-(hydroxymethyl)-3-icosylphenol
CID 54519550
methanamine;1-propylnaphthalene
CID 174438724
(3-chloro-2-ethylphenyl)methanol
CID 118269686
CID 160937062
CID 160937062
CID 160803924
CID 160803924
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
2-prop-2-enyl-3-propylphenol
CID 19877308
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1-benzyl-2,3-dipropylbenzene
CID 22920914
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-propylphenyl]methanol?
The IUPAC name of [2-(hydroxymethyl)-3-propylphenyl]methanol (CID 118644202) is [2-(hydroxymethyl)-3-propylphenyl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-3-propylphenyl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-3-propylphenyl]methanol is CCCc1cccc(CO)c1CO.
What is the InChIKey of [2-(hydroxymethyl)-3-propylphenyl]methanol?
The InChIKey is CACGGOXMBUQCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-4-9-5-3-6-10(7-12)11(9)8-13/h3,5-6,12-13H,2,4,7-8H2,1H3.
What are the key properties of [2-(hydroxymethyl)-3-propylphenyl]methanol?
[2-(hydroxymethyl)-3-propylphenyl]methanol has a molecular weight of 180.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-propylphenyl]methanol is sourced from PubChem (CID 118644202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).