3-ethyl-2-(hydroxymethyl)benzaldehyde

C10H12O2 — CID 131495774

IUPAC3-ethyl-2-(hydroxymethyl)benzaldehyde
SMILESCCc1cccc(C=O)c1CO
InChIInChI=1S/C10H12O2/c1-2-8-4-3-5-9(6-11)10(8)7-12/h3-6,12H,2,7H2,1H3
InChIKeyNHXZCJZIXVIDKQ-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.55
Rot. Bonds3

About 3-ethyl-2-(hydroxymethyl)benzaldehyde

3-ethyl-2-(hydroxymethyl)benzaldehyde (PubChem CID 131495774) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-ethyl-2-(hydroxymethyl)benzaldehyde.

Molecular Properties

Compound Name3-ethyl-2-(hydroxymethyl)benzaldehyde
PubChem CID131495774
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-ethyl-2-(hydroxymethyl)benzaldehyde
SMILESCCc1cccc(C=O)c1CO
InChIInChI=1S/C10H12O2/c1-2-8-4-3-5-9(6-11)10(8)7-12/h3-6,12H,2,7H2,1H3
InChIKeyNHXZCJZIXVIDKQ-UHFFFAOYSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-ethyl-2-(hydroxymethyl)benzaldehyde 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

(2-ethyl-6-methylphenyl)methanol
CID 52987948
3-amino-2-ethylbenzaldehyde
CID 22259616
2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde
CID 144635517
2,3-bis(hydroxymethyl)thiobenzaldehyde
CID 87417515
2,3-diethyl-4-hydroxybenzaldehyde
CID 88956337
(2-ethyl-6-formylphenyl) acetate
CID 156902957
2,3-dioctylbenzaldehyde
CID 175319778
2-fluoro-3-propylbenzaldehyde
CID 174795778
(E)-4-(2,3-diethylphenyl)but-3-enal;ethane
CID 156709204
2,6-bis(hydroxymethyl)benzaldehyde
CID 87930844
1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(hydroxymethyl)benzaldehyde?
The IUPAC name of 3-ethyl-2-(hydroxymethyl)benzaldehyde (CID 131495774) is 3-ethyl-2-(hydroxymethyl)benzaldehyde.
What is the SMILES notation for 3-ethyl-2-(hydroxymethyl)benzaldehyde?
The canonical SMILES for 3-ethyl-2-(hydroxymethyl)benzaldehyde is CCc1cccc(C=O)c1CO.
What is the InChIKey of 3-ethyl-2-(hydroxymethyl)benzaldehyde?
The InChIKey is NHXZCJZIXVIDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8-4-3-5-9(6-11)10(8)7-12/h3-6,12H,2,7H2,1H3.
What are the key properties of 3-ethyl-2-(hydroxymethyl)benzaldehyde?
3-ethyl-2-(hydroxymethyl)benzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(hydroxymethyl)benzaldehyde is sourced from PubChem (CID 131495774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).