3-(4-chlorophenyl)-7-hydroxychromen-2-one

C15H9ClO3 — CID 5393179

IUPAC3-(4-chlorophenyl)-7-hydroxychromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H
InChIKeyQIMAXWFBDUTNFD-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.82
Rot. Bonds1

About 3-(4-chlorophenyl)-7-hydroxychromen-2-one

3-(4-chlorophenyl)-7-hydroxychromen-2-one (PubChem CID 5393179) has the molecular formula C15H9ClO3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-hydroxychromen-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-hydroxychromen-2-one
PubChem CID5393179
Molecular FormulaC15H9ClO3
Molecular Weight272.69 g/mol
Exact Mass272.02
IUPAC Name3-(4-chlorophenyl)-7-hydroxychromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H
InChIKeyQIMAXWFBDUTNFD-UHFFFAOYSA-N
XLogP3.82
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.82
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

(+-)-Coumachlor
CID 54682651
Glycycoumarin
CID 5317756
Serratin
CID 5398649
Resorcinol, monobenzoate
CID 8690
7-hydroxy-3-phenyl-2H-chromen-2-one
CID 5393176
Glycyrin
CID 480787
Isoaurostatin
CID 9837937
4-(chloromethyl)-7-hydroxy-2H-chromen-2-one
CID 5398846
7-Hydroxycoumarin-4-acetic acid
CID 5338490
3-Benzyl-4-methylumbelliferone
CID 5338538
4'-Chloro-2,4-dimethoxychalcone
CID 5346090
7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one
CID 5357627

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-hydroxychromen-2-one?
The IUPAC name of 3-(4-chlorophenyl)-7-hydroxychromen-2-one (CID 5393179) is 3-(4-chlorophenyl)-7-hydroxychromen-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-hydroxychromen-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-hydroxychromen-2-one is O=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-hydroxychromen-2-one?
The InChIKey is QIMAXWFBDUTNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H.
What are the key properties of 3-(4-chlorophenyl)-7-hydroxychromen-2-one?
3-(4-chlorophenyl)-7-hydroxychromen-2-one has a molecular weight of 272.69 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-hydroxychromen-2-one is sourced from PubChem (CID 5393179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).