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

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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).