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

C16H12O3 — CID 10848398

IUPAC7-hydroxy-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1
InChIInChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-9,17H,1H3
InChIKeyAZXPROVWHNKILY-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds1

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

7-hydroxy-2-(4-methylphenyl)chromen-4-one (PubChem CID 10848398) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 7-hydroxy-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(4-methylphenyl)chromen-4-one
PubChem CID10848398
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name7-hydroxy-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1
InChIInChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-9,17H,1H3
InChIKeyAZXPROVWHNKILY-UHFFFAOYSA-N
XLogP3.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-2-(4-methylphenyl)chromen-4-one (CID 10848398) is 7-hydroxy-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1.
What is the InChIKey of 7-hydroxy-2-(4-methylphenyl)chromen-4-one?
The InChIKey is AZXPROVWHNKILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-9,17H,1H3.
What are the key properties of 7-hydroxy-2-(4-methylphenyl)chromen-4-one?
7-hydroxy-2-(4-methylphenyl)chromen-4-one has a molecular weight of 252.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 10848398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).