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

C16H12O4 — CID 5350173

IUPAC7-hydroxy-4-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3cc(O)ccc23)cc1
InChIInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-16(18)20-15-8-11(17)4-7-13(14)15/h2-9,17H,1H3
InChIKeyDYNGLVQFFBSENM-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.17
Rot. Bonds2

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

7-hydroxy-4-(4-methoxyphenyl)chromen-2-one (PubChem CID 5350173) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-hydroxy-4-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-(4-methoxyphenyl)chromen-2-one
PubChem CID5350173
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name7-hydroxy-4-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3cc(O)ccc23)cc1
InChIInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-16(18)20-15-8-11(17)4-7-13(14)15/h2-9,17H,1H3
InChIKeyDYNGLVQFFBSENM-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-4-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 7-hydroxy-4-(4-methoxyphenyl)chromen-2-one (CID 5350173) is 7-hydroxy-4-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-4-(4-methoxyphenyl)chromen-2-one is COc1ccc(-c2cc(=O)oc3cc(O)ccc23)cc1.
What is the InChIKey of 7-hydroxy-4-(4-methoxyphenyl)chromen-2-one?
The InChIKey is DYNGLVQFFBSENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-16(18)20-15-8-11(17)4-7-13(14)15/h2-9,17H,1H3.
What are the key properties of 7-hydroxy-4-(4-methoxyphenyl)chromen-2-one?
7-hydroxy-4-(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-4-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 5350173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).