8-methoxy-3-(4-methoxyphenyl)chromen-2-one

C17H14O4 — CID 2910343

IUPAC8-methoxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1
InChIInChI=1S/C17H14O4/c1-19-13-8-6-11(7-9-13)14-10-12-4-3-5-15(20-2)16(12)21-17(14)18/h3-10H,1-2H3
InChIKeyPUCPZDZHLAJZAX-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 8-methoxy-3-(4-methoxyphenyl)chromen-2-one

8-methoxy-3-(4-methoxyphenyl)chromen-2-one (PubChem CID 2910343) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 8-methoxy-3-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(4-methoxyphenyl)chromen-2-one
PubChem CID2910343
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name8-methoxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1
InChIInChI=1S/C17H14O4/c1-19-13-8-6-11(7-9-13)14-10-12-4-3-5-15(20-2)16(12)21-17(14)18/h3-10H,1-2H3
InChIKeyPUCPZDZHLAJZAX-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 8-methoxy-3-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(4-methoxyphenyl)chromen-2-one (CID 2910343) is 8-methoxy-3-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(4-methoxyphenyl)chromen-2-one is COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1.
What is the InChIKey of 8-methoxy-3-(4-methoxyphenyl)chromen-2-one?
The InChIKey is PUCPZDZHLAJZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-13-8-6-11(7-9-13)14-10-12-4-3-5-15(20-2)16(12)21-17(14)18/h3-10H,1-2H3.
What are the key properties of 8-methoxy-3-(4-methoxyphenyl)chromen-2-one?
8-methoxy-3-(4-methoxyphenyl)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 8-methoxy-3-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 2910343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).