7-hydroxy-3-(4-methoxyphenyl)chromen-2-one

C16H12O4 — CID 5393174

IUPAC7-hydroxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1
InChIInChI=1S/C16H12O4/c1-19-13-6-3-10(4-7-13)14-8-11-2-5-12(17)9-15(11)20-16(14)18/h2-9,17H,1H3
InChIKeyVGYCHSOZFBOOKO-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.17
Rot. Bonds2

About 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one

7-hydroxy-3-(4-methoxyphenyl)chromen-2-one (PubChem CID 5393174) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-methoxyphenyl)chromen-2-one
PubChem CID5393174
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name7-hydroxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1
InChIInChI=1S/C16H12O4/c1-19-13-6-3-10(4-7-13)14-8-11-2-5-12(17)9-15(11)20-16(14)18/h2-9,17H,1H3
InChIKeyVGYCHSOZFBOOKO-UHFFFAOYSA-N
XLogP3.17
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
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 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one (CID 5393174) is 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one is COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1.
What is the InChIKey of 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one?
The InChIKey is VGYCHSOZFBOOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-13-6-3-10(4-7-13)14-8-11-2-5-12(17)9-15(11)20-16(14)18/h2-9,17H,1H3.
What are the key properties of 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one?
7-hydroxy-3-(4-methoxyphenyl)chromen-2-one has a molecular weight of 268.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 5393174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).