5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde

C13H12O3 — CID 169333294

IUPAC5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
SMILESCc1cc(O)c(-c2ccc(C=O)o2)cc1C
InChIInChI=1S/C13H12O3/c1-8-5-11(12(15)6-9(8)2)13-4-3-10(7-14)16-13/h3-7,15H,1-2H3
InChIKeyCKAOFKCKELLXJU-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.08
Rot. Bonds2

About 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde

5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde (PubChem CID 169333294) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
PubChem CID169333294
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
SMILESCc1cc(O)c(-c2ccc(C=O)o2)cc1C
InChIInChI=1S/C13H12O3/c1-8-5-11(12(15)6-9(8)2)13-4-3-10(7-14)16-13/h3-7,15H,1-2H3
InChIKeyCKAOFKCKELLXJU-UHFFFAOYSA-N
XLogP3.08
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde 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

5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid
CID 169335754
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde
CID 169335280
2-[3-(5-formylfuran-2-yl)-4-hydroxyphenyl]acetic acid
CID 169333038
4-(5-formylfuran-2-yl)-3-methylbenzenesulfonate
CID 50874017
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(4-methyl-3-pyridinyl)furan-2-carbaldehyde
CID 103840991

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde (CID 169333294) is 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde is Cc1cc(O)c(-c2ccc(C=O)o2)cc1C.
What is the InChIKey of 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde?
The InChIKey is CKAOFKCKELLXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-5-11(12(15)6-9(8)2)13-4-3-10(7-14)16-13/h3-7,15H,1-2H3.
What are the key properties of 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde?
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).