3-ethyl-4-(hydroxymethyl)benzonitrile

C10H11NO — CID 24971956

IUPAC3-ethyl-4-(hydroxymethyl)benzonitrile
SMILESCCc1cc(C#N)ccc1CO
InChIInChI=1S/C10H11NO/c1-2-9-5-8(6-11)3-4-10(9)7-12/h3-5,12H,2,7H2,1H3
InChIKeyWSNJZBSPUZABSU-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.61
Rot. Bonds2

About 3-ethyl-4-(hydroxymethyl)benzonitrile

3-ethyl-4-(hydroxymethyl)benzonitrile (PubChem CID 24971956) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-ethyl-4-(hydroxymethyl)benzonitrile.

Molecular Properties

Compound Name3-ethyl-4-(hydroxymethyl)benzonitrile
PubChem CID24971956
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-ethyl-4-(hydroxymethyl)benzonitrile
SMILESCCc1cc(C#N)ccc1CO
InChIInChI=1S/C10H11NO/c1-2-9-5-8(6-11)3-4-10(9)7-12/h3-5,12H,2,7H2,1H3
InChIKeyWSNJZBSPUZABSU-UHFFFAOYSA-N
XLogP1.61
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-4-(hydroxymethyl)benzonitrile 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

4-(chloromethyl)-3-ethylbenzonitrile
CID 91883782
3-ethyl-4-(2,2,2-trifluoroethyl)benzonitrile
CID 91883787
3-hydroxy-4-(hydroxymethyl)benzonitrile
CID 18779740
(2,4-diethylphenyl)methanol
CID 21414896
3,5-diethyl-4-hydroxybenzonitrile
CID 21017
4-(4-bromophenyl)-3-ethylbenzonitrile
CID 145051253
4-(difluoromethyl)-3-ethylbenzonitrile
CID 171631043
3-(4-cyano-2-ethylphenyl)prop-2-enoic acid
CID 70560311
methyl 2-[4-cyano-2-ethyl-6-(hydroxymethyl)phenyl]acetate
CID 134613542
methyl N-(4-cyano-2-ethylphenyl)carbamate
CID 154930446
3-(1-cyano-3-methylbutan-2-yl)-4-(hydroxymethyl)benzonitrile
CID 58427447
[2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol
CID 67687070

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(hydroxymethyl)benzonitrile?
The IUPAC name of 3-ethyl-4-(hydroxymethyl)benzonitrile (CID 24971956) is 3-ethyl-4-(hydroxymethyl)benzonitrile.
What is the SMILES notation for 3-ethyl-4-(hydroxymethyl)benzonitrile?
The canonical SMILES for 3-ethyl-4-(hydroxymethyl)benzonitrile is CCc1cc(C#N)ccc1CO.
What is the InChIKey of 3-ethyl-4-(hydroxymethyl)benzonitrile?
The InChIKey is WSNJZBSPUZABSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-9-5-8(6-11)3-4-10(9)7-12/h3-5,12H,2,7H2,1H3.
What are the key properties of 3-ethyl-4-(hydroxymethyl)benzonitrile?
3-ethyl-4-(hydroxymethyl)benzonitrile has a molecular weight of 161.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(hydroxymethyl)benzonitrile is sourced from PubChem (CID 24971956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).