2-(4-chlorophenyl)-5-hydroxychromen-4-one

C15H9ClO3 — CID 15308132

IUPAC2-(4-chlorophenyl)-5-hydroxychromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)oc2cccc(O)c12
InChIInChI=1S/C15H9ClO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,17H
InChIKeyRTRDFMNQTNFTKJ-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.82
Rot. Bonds1

About 2-(4-chlorophenyl)-5-hydroxychromen-4-one

2-(4-chlorophenyl)-5-hydroxychromen-4-one (PubChem CID 15308132) has the molecular formula C15H9ClO3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-hydroxychromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-hydroxychromen-4-one
PubChem CID15308132
Molecular FormulaC15H9ClO3
Molecular Weight272.69 g/mol
Exact Mass272.02
IUPAC Name2-(4-chlorophenyl)-5-hydroxychromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)oc2cccc(O)c12
InChIInChI=1S/C15H9ClO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,17H
InChIKeyRTRDFMNQTNFTKJ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-hydroxychromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-hydroxychromen-4-one (CID 15308132) is 2-(4-chlorophenyl)-5-hydroxychromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-hydroxychromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-hydroxychromen-4-one is O=c1cc(-c2ccc(Cl)cc2)oc2cccc(O)c12.
What is the InChIKey of 2-(4-chlorophenyl)-5-hydroxychromen-4-one?
The InChIKey is RTRDFMNQTNFTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,17H.
What are the key properties of 2-(4-chlorophenyl)-5-hydroxychromen-4-one?
2-(4-chlorophenyl)-5-hydroxychromen-4-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 2-(4-chlorophenyl)-5-hydroxychromen-4-one is sourced from PubChem (CID 15308132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).