6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one

C17H12Cl2O2 — CID 71739419

IUPAC6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(Cl)cc3)cc(=O)c2c(C)c1Cl
InChIInChI=1S/C17H12Cl2O2/c1-9-7-15-16(10(2)17(9)19)13(20)8-14(21-15)11-3-5-12(18)6-4-11/h3-8H,1-2H3
InChIKeyGHNLJCXCJIHDRR-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.38
Rot. Bonds1

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

6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one (PubChem CID 71739419) has the molecular formula C17H12Cl2O2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
PubChem CID71739419
Molecular FormulaC17H12Cl2O2
Molecular Weight319.19 g/mol
Exact Mass318.02
IUPAC Name6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(Cl)cc3)cc(=O)c2c(C)c1Cl
InChIInChI=1S/C17H12Cl2O2/c1-9-7-15-16(10(2)17(9)19)13(20)8-14(21-15)11-3-5-12(18)6-4-11/h3-8H,1-2H3
InChIKeyGHNLJCXCJIHDRR-UHFFFAOYSA-N
XLogP5.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one?
The IUPAC name of 6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one (CID 71739419) is 6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one.
What is the SMILES notation for 6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one?
The canonical SMILES for 6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one is Cc1cc2oc(-c3ccc(Cl)cc3)cc(=O)c2c(C)c1Cl.
What is the InChIKey of 6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one?
The InChIKey is GHNLJCXCJIHDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O2/c1-9-7-15-16(10(2)17(9)19)13(20)8-14(21-15)11-3-5-12(18)6-4-11/h3-8H,1-2H3.
What are the key properties of 6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one?
6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one has a molecular weight of 319.19 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one is sourced from PubChem (CID 71739419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).