6,8-dichloro-2-(4-chlorophenyl)chromen-4-one

C15H7Cl3O2 — CID 688877

IUPAC6,8-dichloro-2-(4-chlorophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C15H7Cl3O2/c16-9-3-1-8(2-4-9)14-7-13(19)11-5-10(17)6-12(18)15(11)20-14/h1-7H
InChIKeyJVVNMSCBUIIZBK-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.42
Rot. Bonds1

About 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one

6,8-dichloro-2-(4-chlorophenyl)chromen-4-one (PubChem CID 688877) has the molecular formula C15H7Cl3O2 and a molecular weight of 325.58 g/mol. Its IUPAC name is 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one.

Molecular Properties

Compound Name6,8-dichloro-2-(4-chlorophenyl)chromen-4-one
PubChem CID688877
Molecular FormulaC15H7Cl3O2
Molecular Weight325.58 g/mol
Exact Mass323.95
IUPAC Name6,8-dichloro-2-(4-chlorophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C15H7Cl3O2/c16-9-3-1-8(2-4-9)14-7-13(19)11-5-10(17)6-12(18)15(11)20-14/h1-7H
InChIKeyJVVNMSCBUIIZBK-UHFFFAOYSA-N
XLogP5.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,8-dichloro-2-(4-chlorophenyl)chromen-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

6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one
CID 13190880
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
6,8-dibromo-2-(4-chlorophenyl)cyclohepta[b]pyran-4,9-dione
CID 5018451
2-(4-bromophenyl)-8-chlorochromen-4-one
CID 164809854
2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride
CID 70487550
[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite
CID 146493383
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
4-(8-chloro-4-oxochromen-2-yl)benzoic acid
CID 82043700
7-(4-chlorophenyl)-9-methyl-3-phenylfuro[3,2-g]chromen-5-one
CID 25148063
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579
8-chloro-2-(4-methylphenyl)-7-sulfanylchromen-4-one
CID 146510091
7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one
CID 73352574

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one?
The IUPAC name of 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one (CID 688877) is 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one.
What is the SMILES notation for 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one?
The canonical SMILES for 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one is O=c1cc(-c2ccc(Cl)cc2)oc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one?
The InChIKey is JVVNMSCBUIIZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3O2/c16-9-3-1-8(2-4-9)14-7-13(19)11-5-10(17)6-12(18)15(11)20-14/h1-7H.
What are the key properties of 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one?
6,8-dichloro-2-(4-chlorophenyl)chromen-4-one has a molecular weight of 325.58 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(4-chlorophenyl)chromen-4-one is sourced from PubChem (CID 688877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).