2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one

C15H9ClO5 — CID 11426691

IUPAC2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C15H9ClO5/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,18-20H
InChIKeyHXORUMGINKYGJQ-UHFFFAOYSA-N
MW304.69 g/mol
LogP3.23
Rot. Bonds1

About 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one

2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one (PubChem CID 11426691) has the molecular formula C15H9ClO5 and a molecular weight of 304.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
PubChem CID11426691
Molecular FormulaC15H9ClO5
Molecular Weight304.69 g/mol
Exact Mass304.01
IUPAC Name2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C15H9ClO5/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,18-20H
InChIKeyHXORUMGINKYGJQ-UHFFFAOYSA-N
XLogP3.23
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
CID 131834556
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
CID 162817904
6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
CID 71739419
5,6,7-trihydroxy-2-[4-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]chromen-4-one
CID 162900879
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
[4-(5,6,7-trihydroxy-4-oxochromen-2-yl)phenyl] 4-methylpiperazine-1-carboxylate
CID 122196268
5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 15838821
5,7-dihydroxy-6-(hydroxymethyl)-2-phenylchromen-4-one;5,7-dihydroxy-2-phenylchromen-4-one;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 159238028

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one (CID 11426691) is 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one is O=c1cc(-c2ccc(Cl)cc2)oc2cc(O)c(O)c(O)c12.
What is the InChIKey of 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one?
The InChIKey is HXORUMGINKYGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO5/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,18-20H.
What are the key properties of 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one?
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one has a molecular weight of 304.69 g/mol, XLogP of 3.23, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one is sourced from PubChem (CID 11426691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).