6,7-dimethoxy-4-phenylchromen-2-one

C17H14O4 — CID 1235191

IUPAC6,7-dimethoxy-4-phenylchromen-2-one
SMILESCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1OC
InChIInChI=1S/C17H14O4/c1-19-15-8-13-12(11-6-4-3-5-7-11)9-17(18)21-14(13)10-16(15)20-2/h3-10H,1-2H3
InChIKeyBUZZVHCRHOIKOC-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 6,7-dimethoxy-4-phenylchromen-2-one

6,7-dimethoxy-4-phenylchromen-2-one (PubChem CID 1235191) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6,7-dimethoxy-4-phenylchromen-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-phenylchromen-2-one
PubChem CID1235191
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name6,7-dimethoxy-4-phenylchromen-2-one
SMILESCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1OC
InChIInChI=1S/C17H14O4/c1-19-15-8-13-12(11-6-4-3-5-7-11)9-17(18)21-14(13)10-16(15)20-2/h3-10H,1-2H3
InChIKeyBUZZVHCRHOIKOC-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

Computed Properties (RDKit)

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

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Related Compounds

Tangeretin
CID 68077
Daphnetin
CID 5280569
Scoparone
CID 8417
Scopoletin
CID 5280460
Esculetin
CID 5281416
4-Methylesculetin
CID 5319502
5,7-Dimethoxycoumarin
CID 2775
precocene II
CID 12565
7,8-Dihydroxy-4-methylcoumarin
CID 5355836
Sinensetin
CID 145659
5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one
CID 442583
4-Methylumbelliferyl acetate
CID 366

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-phenylchromen-2-one?
The IUPAC name of 6,7-dimethoxy-4-phenylchromen-2-one (CID 1235191) is 6,7-dimethoxy-4-phenylchromen-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-phenylchromen-2-one?
The canonical SMILES for 6,7-dimethoxy-4-phenylchromen-2-one is COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-phenylchromen-2-one?
The InChIKey is BUZZVHCRHOIKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-15-8-13-12(11-6-4-3-5-7-11)9-17(18)21-14(13)10-16(15)20-2/h3-10H,1-2H3.
What are the key properties of 6,7-dimethoxy-4-phenylchromen-2-one?
6,7-dimethoxy-4-phenylchromen-2-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 6,7-dimethoxy-4-phenylchromen-2-one is sourced from PubChem (CID 1235191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).