3-hydroxy-4-methylbenzaldehyde

C8H8O2 — CID 585182

IUPAC3-hydroxy-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1O
InChIInChI=1S/C8H8O2/c1-6-2-3-7(5-9)4-8(6)10/h2-5,10H,1H3
InChIKeyDHVJHJQBQKKPNB-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.51
Rot. Bonds1

About 3-hydroxy-4-methylbenzaldehyde

3-hydroxy-4-methylbenzaldehyde (PubChem CID 585182) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-hydroxy-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-methylbenzaldehyde
PubChem CID585182
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name3-hydroxy-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1O
InChIInChI=1S/C8H8O2/c1-6-2-3-7(5-9)4-8(6)10/h2-5,10H,1H3
InChIKeyDHVJHJQBQKKPNB-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-methylbenzaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylbenzaldehyde?
The IUPAC name of 3-hydroxy-4-methylbenzaldehyde (CID 585182) is 3-hydroxy-4-methylbenzaldehyde.
What is the SMILES notation for 3-hydroxy-4-methylbenzaldehyde?
The canonical SMILES for 3-hydroxy-4-methylbenzaldehyde is Cc1ccc(C=O)cc1O.
What is the InChIKey of 3-hydroxy-4-methylbenzaldehyde?
The InChIKey is DHVJHJQBQKKPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-6-2-3-7(5-9)4-8(6)10/h2-5,10H,1H3.
What are the key properties of 3-hydroxy-4-methylbenzaldehyde?
3-hydroxy-4-methylbenzaldehyde has a molecular weight of 136.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylbenzaldehyde is sourced from PubChem (CID 585182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).