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

C15H8Cl2O3 — CID 175439697

IUPAC2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)c(Cl)oc2cc(O)ccc12
InChIInChI=1S/C15H8Cl2O3/c16-9-3-1-8(2-4-9)13-14(19)11-6-5-10(18)7-12(11)20-15(13)17/h1-7,18H
InChIKeyLTGUZMSLACEGOQ-UHFFFAOYSA-N
MW307.13 g/mol
LogP4.47
Rot. Bonds1

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

2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one (PubChem CID 175439697) has the molecular formula C15H8Cl2O3 and a molecular weight of 307.13 g/mol. Its IUPAC name is 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one
PubChem CID175439697
Molecular FormulaC15H8Cl2O3
Molecular Weight307.13 g/mol
Exact Mass305.99
IUPAC Name2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)c(Cl)oc2cc(O)ccc12
InChIInChI=1S/C15H8Cl2O3/c16-9-3-1-8(2-4-9)13-14(19)11-6-5-10(18)7-12(11)20-15(13)17/h1-7,18H
InChIKeyLTGUZMSLACEGOQ-UHFFFAOYSA-N
XLogP4.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one?
The IUPAC name of 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one (CID 175439697) is 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one.
What is the SMILES notation for 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one?
The canonical SMILES for 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one is O=c1c(-c2ccc(Cl)cc2)c(Cl)oc2cc(O)ccc12.
What is the InChIKey of 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one?
The InChIKey is LTGUZMSLACEGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O3/c16-9-3-1-8(2-4-9)13-14(19)11-6-5-10(18)7-12(11)20-15(13)17/h1-7,18H.
What are the key properties of 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one?
2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one has a molecular weight of 307.13 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one is sourced from PubChem (CID 175439697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).