5,7-dimethoxy-3-phenylchromen-4-one

C17H14O4 — CID 6710704

IUPAC5,7-dimethoxy-3-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C17H14O4/c1-19-12-8-14(20-2)16-15(9-12)21-10-13(17(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyCDSSYLTXYXEANW-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 5,7-dimethoxy-3-phenylchromen-4-one

5,7-dimethoxy-3-phenylchromen-4-one (PubChem CID 6710704) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5,7-dimethoxy-3-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-3-phenylchromen-4-one
PubChem CID6710704
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name5,7-dimethoxy-3-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C17H14O4/c1-19-12-8-14(20-2)16-15(9-12)21-10-13(17(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyCDSSYLTXYXEANW-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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-phenylchromen-4-one?
The IUPAC name of 5,7-dimethoxy-3-phenylchromen-4-one (CID 6710704) is 5,7-dimethoxy-3-phenylchromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-3-phenylchromen-4-one?
The canonical SMILES for 5,7-dimethoxy-3-phenylchromen-4-one is COc1cc(OC)c2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of 5,7-dimethoxy-3-phenylchromen-4-one?
The InChIKey is CDSSYLTXYXEANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-8-14(20-2)16-15(9-12)21-10-13(17(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 5,7-dimethoxy-3-phenylchromen-4-one?
5,7-dimethoxy-3-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 5,7-dimethoxy-3-phenylchromen-4-one is sourced from PubChem (CID 6710704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).