3,6-dimethoxy-2-phenylchromen-4-one

C17H14O4 — CID 676292

IUPAC3,6-dimethoxy-2-phenylchromen-4-one
SMILESCOc1ccc2oc(-c3ccccc3)c(OC)c(=O)c2c1
InChIInChI=1S/C17H14O4/c1-19-12-8-9-14-13(10-12)15(18)17(20-2)16(21-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyBZKORUNDAHVLAO-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 3,6-dimethoxy-2-phenylchromen-4-one

3,6-dimethoxy-2-phenylchromen-4-one (PubChem CID 676292) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3,6-dimethoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,6-dimethoxy-2-phenylchromen-4-one
PubChem CID676292
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3,6-dimethoxy-2-phenylchromen-4-one
SMILESCOc1ccc2oc(-c3ccccc3)c(OC)c(=O)c2c1
InChIInChI=1S/C17H14O4/c1-19-12-8-9-14-13(10-12)15(18)17(20-2)16(21-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyBZKORUNDAHVLAO-UHFFFAOYSA-N
XLogP3.48
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dimethoxy-2-phenylchromen-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 3,6-dimethoxy-2-phenylchromen-4-one?
The IUPAC name of 3,6-dimethoxy-2-phenylchromen-4-one (CID 676292) is 3,6-dimethoxy-2-phenylchromen-4-one.
What is the SMILES notation for 3,6-dimethoxy-2-phenylchromen-4-one?
The canonical SMILES for 3,6-dimethoxy-2-phenylchromen-4-one is COc1ccc2oc(-c3ccccc3)c(OC)c(=O)c2c1.
What is the InChIKey of 3,6-dimethoxy-2-phenylchromen-4-one?
The InChIKey is BZKORUNDAHVLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-8-9-14-13(10-12)15(18)17(20-2)16(21-14)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 3,6-dimethoxy-2-phenylchromen-4-one?
3,6-dimethoxy-2-phenylchromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-phenylchromen-4-one is sourced from PubChem (CID 676292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).