4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde

C9H8O4 — CID 18035

IUPAC4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
SMILESCOc1cc(C=O)cc(C=O)c1O
InChIInChI=1S/C9H8O4/c1-13-8-3-6(4-10)2-7(5-11)9(8)12/h2-5,12H,1H3
InChIKeyYVNRFQCFZVYDRO-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.03
Rot. Bonds3

About 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde

4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde (PubChem CID 18035) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
PubChem CID18035
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
SMILESCOc1cc(C=O)cc(C=O)c1O
InChIInChI=1S/C9H8O4/c1-13-8-3-6(4-10)2-7(5-11)9(8)12/h2-5,12H,1H3
InChIKeyYVNRFQCFZVYDRO-UHFFFAOYSA-N
XLogP1.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde 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 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde?
The IUPAC name of 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde (CID 18035) is 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde?
The canonical SMILES for 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde is COc1cc(C=O)cc(C=O)c1O.
What is the InChIKey of 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde?
The InChIKey is YVNRFQCFZVYDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c1-13-8-3-6(4-10)2-7(5-11)9(8)12/h2-5,12H,1H3.
What are the key properties of 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde?
4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde has a molecular weight of 180.16 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 18035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).