2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one

C17H14O5 — CID 66573994

IUPAC2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
SMILESCOc1cc(OC)cc(-c2oc3ccccc3c(=O)c2O)c1
InChIInChI=1S/C17H14O5/c1-20-11-7-10(8-12(9-11)21-2)17-16(19)15(18)13-5-3-4-6-14(13)22-17/h3-9,19H,1-2H3
InChIKeyBIDOLZUUNWEZPG-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.18
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one

2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one (PubChem CID 66573994) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
PubChem CID66573994
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
SMILESCOc1cc(OC)cc(-c2oc3ccccc3c(=O)c2O)c1
InChIInChI=1S/C17H14O5/c1-20-11-7-10(8-12(9-11)21-2)17-16(19)15(18)13-5-3-4-6-14(13)22-17/h3-9,19H,1-2H3
InChIKeyBIDOLZUUNWEZPG-UHFFFAOYSA-N
XLogP3.18
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one 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 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one (CID 66573994) is 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one is COc1cc(OC)cc(-c2oc3ccccc3c(=O)c2O)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one?
The InChIKey is BIDOLZUUNWEZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-11-7-10(8-12(9-11)21-2)17-16(19)15(18)13-5-3-4-6-14(13)22-17/h3-9,19H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one?
2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one has a molecular weight of 298.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one is sourced from PubChem (CID 66573994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).