5,7-dimethoxy-3-phenylchromen-2-one

C17H14O4 — CID 10493138

IUPAC5,7-dimethoxy-3-phenylchromen-2-one
SMILESCOc1cc(OC)c2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C17H14O4/c1-19-12-8-15(20-2)14-10-13(11-6-4-3-5-7-11)17(18)21-16(14)9-12/h3-10H,1-2H3
InChIKeyCHIJVOLJARTIFV-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 5,7-dimethoxy-3-phenylchromen-2-one

5,7-dimethoxy-3-phenylchromen-2-one (PubChem CID 10493138) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5,7-dimethoxy-3-phenylchromen-2-one.

Molecular Properties

Compound Name5,7-dimethoxy-3-phenylchromen-2-one
PubChem CID10493138
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name5,7-dimethoxy-3-phenylchromen-2-one
SMILESCOc1cc(OC)c2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C17H14O4/c1-19-12-8-15(20-2)14-10-13(11-6-4-3-5-7-11)17(18)21-16(14)9-12/h3-10H,1-2H3
InChIKeyCHIJVOLJARTIFV-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

3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one
CID 163504792
5,7,8-trimethoxy-3-phenylchromen-2-one
CID 134912099
7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155816497
5,7-dimethoxy-3-[(E)-3-methoxy-3-phenylprop-2-enoyl]chromen-2-one
CID 173186263
5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
CID 102256311
7-methoxy-4-methyl-6-phenylchromen-2-one
CID 102307411
3-(5,7-dimethoxy-2-oxochromen-3-yl)-7-fluoro-1-methylquinolin-2-one
CID 177425154
8-methoxy-3-phenylchromen-2-one
CID 2195449
7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
CID 102527760
5,7-dimethoxy-2-phenylchromene-4-thione
CID 56984400
3,5,6-triphenylchromen-2-one
CID 71411258
5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one
CID 95401069

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-phenylchromen-2-one?
The IUPAC name of 5,7-dimethoxy-3-phenylchromen-2-one (CID 10493138) is 5,7-dimethoxy-3-phenylchromen-2-one.
What is the SMILES notation for 5,7-dimethoxy-3-phenylchromen-2-one?
The canonical SMILES for 5,7-dimethoxy-3-phenylchromen-2-one is COc1cc(OC)c2cc(-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of 5,7-dimethoxy-3-phenylchromen-2-one?
The InChIKey is CHIJVOLJARTIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-8-15(20-2)14-10-13(11-6-4-3-5-7-11)17(18)21-16(14)9-12/h3-10H,1-2H3.
What are the key properties of 5,7-dimethoxy-3-phenylchromen-2-one?
5,7-dimethoxy-3-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 5,7-dimethoxy-3-phenylchromen-2-one is sourced from PubChem (CID 10493138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).