6-methoxy-4-(4-methoxyphenyl)chromen-2-one

C17H14O4 — CID 10516997

IUPAC6-methoxy-4-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3ccc(OC)cc23)cc1
InChIInChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)14-10-17(18)21-16-8-7-13(20-2)9-15(14)16/h3-10H,1-2H3
InChIKeyKEEURTRFYNZASK-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 6-methoxy-4-(4-methoxyphenyl)chromen-2-one

6-methoxy-4-(4-methoxyphenyl)chromen-2-one (PubChem CID 10516997) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-methoxy-4-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name6-methoxy-4-(4-methoxyphenyl)chromen-2-one
PubChem CID10516997
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name6-methoxy-4-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3ccc(OC)cc23)cc1
InChIInChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)14-10-17(18)21-16-8-7-13(20-2)9-15(14)16/h3-10H,1-2H3
InChIKeyKEEURTRFYNZASK-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

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CID 46879082
4-(3-methoxyphenyl)chromen-2-one
CID 10538749
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CID 14804651
3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
CID 707742
4-(2-bromoethyl)-6-methoxychromen-2-one
CID 174375390
6-methoxy-4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]chromen-2-one
CID 177393399
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
[6-chloro-4-(4-methoxyphenyl)-2-oxochromen-7-yl] furan-2-carboxylate
CID 1324604
5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one
CID 707772
4-(4-butoxyphenyl)chromen-2-one
CID 102166344
6-tert-butyl-4-[4-(4-phenylphenyl)phenyl]chromen-2-one
CID 11235769
[4-(4-methoxyphenyl)-2-oxochromen-7-yl] 2,4-dichlorobenzoate
CID 2271814

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 6-methoxy-4-(4-methoxyphenyl)chromen-2-one (CID 10516997) is 6-methoxy-4-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 6-methoxy-4-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 6-methoxy-4-(4-methoxyphenyl)chromen-2-one is COc1ccc(-c2cc(=O)oc3ccc(OC)cc23)cc1.
What is the InChIKey of 6-methoxy-4-(4-methoxyphenyl)chromen-2-one?
The InChIKey is KEEURTRFYNZASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)14-10-17(18)21-16-8-7-13(20-2)9-15(14)16/h3-10H,1-2H3.
What are the key properties of 6-methoxy-4-(4-methoxyphenyl)chromen-2-one?
6-methoxy-4-(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 6-methoxy-4-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 10516997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).