3,7-dimethoxy-2-phenylchromen-4-one

C17H14O4 — CID 688664

IUPAC3,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1ccc2c(=O)c(OC)c(-c3ccccc3)oc2c1
InChIInChI=1S/C17H14O4/c1-19-12-8-9-13-14(10-12)21-16(17(20-2)15(13)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyCNDZOPXQZSXGSK-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 3,7-dimethoxy-2-phenylchromen-4-one

3,7-dimethoxy-2-phenylchromen-4-one (PubChem CID 688664) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3,7-dimethoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,7-dimethoxy-2-phenylchromen-4-one
PubChem CID688664
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1ccc2c(=O)c(OC)c(-c3ccccc3)oc2c1
InChIInChI=1S/C17H14O4/c1-19-12-8-9-13-14(10-12)21-16(17(20-2)15(13)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyCNDZOPXQZSXGSK-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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Related Compounds

Quercetin
CID 5280343
Genistein
CID 5280961
Tangeretin
CID 68077
Myricetin
CID 5281672
2-Hydroxy-4-methoxybenzophenone
CID 4632
Octabenzone
CID 15797
Apigenin
CID 5280443
Diosmetin
CID 5281612
Naringenin
CID 439246
Formononetin
CID 5280378
Luteolin
CID 5280445
Kaempferol
CID 5280863

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-2-phenylchromen-4-one?
The IUPAC name of 3,7-dimethoxy-2-phenylchromen-4-one (CID 688664) is 3,7-dimethoxy-2-phenylchromen-4-one.
What is the SMILES notation for 3,7-dimethoxy-2-phenylchromen-4-one?
The canonical SMILES for 3,7-dimethoxy-2-phenylchromen-4-one is COc1ccc2c(=O)c(OC)c(-c3ccccc3)oc2c1.
What is the InChIKey of 3,7-dimethoxy-2-phenylchromen-4-one?
The InChIKey is CNDZOPXQZSXGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-8-9-13-14(10-12)21-16(17(20-2)15(13)18)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 3,7-dimethoxy-2-phenylchromen-4-one?
3,7-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 3,7-dimethoxy-2-phenylchromen-4-one is sourced from PubChem (CID 688664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).