3-(2-hydroxyphenyl)-7-methylchromen-2-one

C16H12O3 — CID 164686833

IUPAC3-(2-hydroxyphenyl)-7-methylchromen-2-one
SMILESCc1ccc2cc(-c3ccccc3O)c(=O)oc2c1
InChIInChI=1S/C16H12O3/c1-10-6-7-11-9-13(16(18)19-15(11)8-10)12-4-2-3-5-14(12)17/h2-9,17H,1H3
InChIKeyVMJRVCVXSUMRKG-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds1

About 3-(2-hydroxyphenyl)-7-methylchromen-2-one

3-(2-hydroxyphenyl)-7-methylchromen-2-one (PubChem CID 164686833) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-7-methylchromen-2-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-7-methylchromen-2-one
PubChem CID164686833
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name3-(2-hydroxyphenyl)-7-methylchromen-2-one
SMILESCc1ccc2cc(-c3ccccc3O)c(=O)oc2c1
InChIInChI=1S/C16H12O3/c1-10-6-7-11-9-13(16(18)19-15(11)8-10)12-4-2-3-5-14(12)17/h2-9,17H,1H3
InChIKeyVMJRVCVXSUMRKG-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-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008
7-methyl-3-(4-sulfanylphenyl)chromen-2-one
CID 90146912
3-[4-hydroxy-2-(trifluoromethyl)phenyl]-7-methylchromen-2-one;propan-2-one
CID 145263250
7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one
CID 162687746
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464
7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one
CID 162687769
7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
CID 142841478
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
methyl 7-methyl-2-oxochromene-3-carboxylate
CID 142114128
7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one
CID 71659817

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-7-methylchromen-2-one?
The IUPAC name of 3-(2-hydroxyphenyl)-7-methylchromen-2-one (CID 164686833) is 3-(2-hydroxyphenyl)-7-methylchromen-2-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-7-methylchromen-2-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-7-methylchromen-2-one is Cc1ccc2cc(-c3ccccc3O)c(=O)oc2c1.
What is the InChIKey of 3-(2-hydroxyphenyl)-7-methylchromen-2-one?
The InChIKey is VMJRVCVXSUMRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10-6-7-11-9-13(16(18)19-15(11)8-10)12-4-2-3-5-14(12)17/h2-9,17H,1H3.
What are the key properties of 3-(2-hydroxyphenyl)-7-methylchromen-2-one?
3-(2-hydroxyphenyl)-7-methylchromen-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 3-(2-hydroxyphenyl)-7-methylchromen-2-one is sourced from PubChem (CID 164686833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).