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

C15H9ClO3 — CID 142547533

IUPAC4-(2-chlorophenyl)-7-hydroxychromen-2-one
SMILESO=c1cc(-c2ccccc2Cl)c2ccc(O)cc2o1
InChIInChI=1S/C15H9ClO3/c16-13-4-2-1-3-10(13)12-8-15(18)19-14-7-9(17)5-6-11(12)14/h1-8,17H
InChIKeyHHGMVLJCGVUHKR-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.82
Rot. Bonds1

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

4-(2-chlorophenyl)-7-hydroxychromen-2-one (PubChem CID 142547533) has the molecular formula C15H9ClO3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-7-hydroxychromen-2-one
PubChem CID142547533
Molecular FormulaC15H9ClO3
Molecular Weight272.69 g/mol
Exact Mass272.02
IUPAC Name4-(2-chlorophenyl)-7-hydroxychromen-2-one
SMILESO=c1cc(-c2ccccc2Cl)c2ccc(O)cc2o1
InChIInChI=1S/C15H9ClO3/c16-13-4-2-1-3-10(13)12-8-15(18)19-14-7-9(17)5-6-11(12)14/h1-8,17H
InChIKeyHHGMVLJCGVUHKR-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-7-hydroxychromen-2-one?
The IUPAC name of 4-(2-chlorophenyl)-7-hydroxychromen-2-one (CID 142547533) is 4-(2-chlorophenyl)-7-hydroxychromen-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-7-hydroxychromen-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-7-hydroxychromen-2-one is O=c1cc(-c2ccccc2Cl)c2ccc(O)cc2o1.
What is the InChIKey of 4-(2-chlorophenyl)-7-hydroxychromen-2-one?
The InChIKey is HHGMVLJCGVUHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO3/c16-13-4-2-1-3-10(13)12-8-15(18)19-14-7-9(17)5-6-11(12)14/h1-8,17H.
What are the key properties of 4-(2-chlorophenyl)-7-hydroxychromen-2-one?
4-(2-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 4-(2-chlorophenyl)-7-hydroxychromen-2-one is sourced from PubChem (CID 142547533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).