4-(3,4-dimethoxyphenyl)chromen-2-one

C17H14O4 — CID 10516996

IUPAC4-(3,4-dimethoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3ccccc23)cc1OC
InChIInChI=1S/C17H14O4/c1-19-15-8-7-11(9-16(15)20-2)13-10-17(18)21-14-6-4-3-5-12(13)14/h3-10H,1-2H3
InChIKeyVITZYPSHMLJNMB-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)chromen-2-one

4-(3,4-dimethoxyphenyl)chromen-2-one (PubChem CID 10516996) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)chromen-2-one
PubChem CID10516996
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name4-(3,4-dimethoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3ccccc23)cc1OC
InChIInChI=1S/C17H14O4/c1-19-15-8-7-11(9-16(15)20-2)13-10-17(18)21-14-6-4-3-5-12(13)14/h3-10H,1-2H3
InChIKeyVITZYPSHMLJNMB-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)chromen-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)chromen-2-one (CID 10516996) is 4-(3,4-dimethoxyphenyl)chromen-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)chromen-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)chromen-2-one is COc1ccc(-c2cc(=O)oc3ccccc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)chromen-2-one?
The InChIKey is VITZYPSHMLJNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-15-8-7-11(9-16(15)20-2)13-10-17(18)21-14-6-4-3-5-12(13)14/h3-10H,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)chromen-2-one?
4-(3,4-dimethoxyphenyl)chromen-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 4-(3,4-dimethoxyphenyl)chromen-2-one is sourced from PubChem (CID 10516996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).