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

C16H12O3 — CID 56594088

IUPAC6-hydroxy-3-(4-methylphenyl)chromen-2-one
SMILESCc1ccc(-c2cc3cc(O)ccc3oc2=O)cc1
InChIInChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)14-9-12-8-13(17)6-7-15(12)19-16(14)18/h2-9,17H,1H3
InChIKeyVDRJEZWOTHENFG-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds1

About 6-hydroxy-3-(4-methylphenyl)chromen-2-one

6-hydroxy-3-(4-methylphenyl)chromen-2-one (PubChem CID 56594088) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-hydroxy-3-(4-methylphenyl)chromen-2-one.

Molecular Properties

Compound Name6-hydroxy-3-(4-methylphenyl)chromen-2-one
PubChem CID56594088
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name6-hydroxy-3-(4-methylphenyl)chromen-2-one
SMILESCc1ccc(-c2cc3cc(O)ccc3oc2=O)cc1
InChIInChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)14-9-12-8-13(17)6-7-15(12)19-16(14)18/h2-9,17H,1H3
InChIKeyVDRJEZWOTHENFG-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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Related Compounds

3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
3-(1,3-benzodioxol-5-yl)-6-hydroxychromen-2-one
CID 44562448
6-methyl-3-(3-methylphenyl)chromen-2-one
CID 56594232
3-(4-bromophenyl)-7-hydroxychromen-2-one
CID 5393163
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033
4-methyl-N-[3-(4-methylphenyl)-2-oxochromen-6-yl]-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 177149610
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008
7-methyl-3-(4-sulfanylphenyl)chromen-2-one
CID 90146912
4,5-dihydroxy-2-(6-hydroxy-2-oxochromen-3-yl)benzoic acid
CID 86288794
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol
CID 21022043
6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11682483

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4-methylphenyl)chromen-2-one?
The IUPAC name of 6-hydroxy-3-(4-methylphenyl)chromen-2-one (CID 56594088) is 6-hydroxy-3-(4-methylphenyl)chromen-2-one.
What is the SMILES notation for 6-hydroxy-3-(4-methylphenyl)chromen-2-one?
The canonical SMILES for 6-hydroxy-3-(4-methylphenyl)chromen-2-one is Cc1ccc(-c2cc3cc(O)ccc3oc2=O)cc1.
What is the InChIKey of 6-hydroxy-3-(4-methylphenyl)chromen-2-one?
The InChIKey is VDRJEZWOTHENFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)14-9-12-8-13(17)6-7-15(12)19-16(14)18/h2-9,17H,1H3.
What are the key properties of 6-hydroxy-3-(4-methylphenyl)chromen-2-one?
6-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 6-hydroxy-3-(4-methylphenyl)chromen-2-one is sourced from PubChem (CID 56594088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).