8-hydroxy-3-(4-methylphenyl)chromen-2-one

C16H12O3 — CID 73355033

IUPAC8-hydroxy-3-(4-methylphenyl)chromen-2-one
SMILESCc1ccc(-c2cc3cccc(O)c3oc2=O)cc1
InChIInChI=1S/C16H12O3/c1-10-5-7-11(8-6-10)13-9-12-3-2-4-14(17)15(12)19-16(13)18/h2-9,17H,1H3
InChIKeyLIWCBZLCPDYGKB-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds1

About 8-hydroxy-3-(4-methylphenyl)chromen-2-one

8-hydroxy-3-(4-methylphenyl)chromen-2-one (PubChem CID 73355033) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 8-hydroxy-3-(4-methylphenyl)chromen-2-one.

Molecular Properties

Compound Name8-hydroxy-3-(4-methylphenyl)chromen-2-one
PubChem CID73355033
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name8-hydroxy-3-(4-methylphenyl)chromen-2-one
SMILESCc1ccc(-c2cc3cccc(O)c3oc2=O)cc1
InChIInChI=1S/C16H12O3/c1-10-5-7-11(8-6-10)13-9-12-3-2-4-14(17)15(12)19-16(13)18/h2-9,17H,1H3
InChIKeyLIWCBZLCPDYGKB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-(4-methylphenyl)chromen-2-one?
The IUPAC name of 8-hydroxy-3-(4-methylphenyl)chromen-2-one (CID 73355033) is 8-hydroxy-3-(4-methylphenyl)chromen-2-one.
What is the SMILES notation for 8-hydroxy-3-(4-methylphenyl)chromen-2-one?
The canonical SMILES for 8-hydroxy-3-(4-methylphenyl)chromen-2-one is Cc1ccc(-c2cc3cccc(O)c3oc2=O)cc1.
What is the InChIKey of 8-hydroxy-3-(4-methylphenyl)chromen-2-one?
The InChIKey is LIWCBZLCPDYGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10-5-7-11(8-6-10)13-9-12-3-2-4-14(17)15(12)19-16(13)18/h2-9,17H,1H3.
What are the key properties of 8-hydroxy-3-(4-methylphenyl)chromen-2-one?
8-hydroxy-3-(4-methylphenyl)chromen-2-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 8-hydroxy-3-(4-methylphenyl)chromen-2-one is sourced from PubChem (CID 73355033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).