4-ethoxy-2,3-dihydroxybenzaldehyde

C9H10O4 — CID 44887021

IUPAC4-ethoxy-2,3-dihydroxybenzaldehyde
SMILESCCOc1ccc(C=O)c(O)c1O
InChIInChI=1S/C9H10O4/c1-2-13-7-4-3-6(5-10)8(11)9(7)12/h3-5,11-12H,2H2,1H3
InChIKeyWOSWBATZOUYEOH-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.31
Rot. Bonds3

About 4-ethoxy-2,3-dihydroxybenzaldehyde

4-ethoxy-2,3-dihydroxybenzaldehyde (PubChem CID 44887021) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-ethoxy-2,3-dihydroxybenzaldehyde.

Molecular Properties

Compound Name4-ethoxy-2,3-dihydroxybenzaldehyde
PubChem CID44887021
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name4-ethoxy-2,3-dihydroxybenzaldehyde
SMILESCCOc1ccc(C=O)c(O)c1O
InChIInChI=1S/C9H10O4/c1-2-13-7-4-3-6(5-10)8(11)9(7)12/h3-5,11-12H,2H2,1H3
InChIKeyWOSWBATZOUYEOH-UHFFFAOYSA-N
XLogP1.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-ethoxy-2,3-dihydroxybenzaldehyde 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-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
3-acetyl-4-ethoxy-2-fluorobenzaldehyde
CID 171003136
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
3-ethoxy-4-formylbenzoic acid
CID 21100742
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
4-ethoxy-3-formylbenzoic acid
CID 40655849
(4-ethoxy-3-formylphenyl)-methylborinic acid
CID 89271667
2-ethoxy-5-sulfanylbenzaldehyde
CID 155017600
2-hydroxy-3,4-bis(2-methylbutoxy)benzaldehyde
CID 18620338
(4-ethoxy-3-formylphenyl)-ethylborinic acid
CID 89271439
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
6-ethoxy-2,3-dimethylphenol
CID 119015224

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3-dihydroxybenzaldehyde?
The IUPAC name of 4-ethoxy-2,3-dihydroxybenzaldehyde (CID 44887021) is 4-ethoxy-2,3-dihydroxybenzaldehyde.
What is the SMILES notation for 4-ethoxy-2,3-dihydroxybenzaldehyde?
The canonical SMILES for 4-ethoxy-2,3-dihydroxybenzaldehyde is CCOc1ccc(C=O)c(O)c1O.
What is the InChIKey of 4-ethoxy-2,3-dihydroxybenzaldehyde?
The InChIKey is WOSWBATZOUYEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-13-7-4-3-6(5-10)8(11)9(7)12/h3-5,11-12H,2H2,1H3.
What are the key properties of 4-ethoxy-2,3-dihydroxybenzaldehyde?
4-ethoxy-2,3-dihydroxybenzaldehyde has a molecular weight of 182.17 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3-dihydroxybenzaldehyde is sourced from PubChem (CID 44887021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).