1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone

C21H17ClO — CID 77461544

IUPAC1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone
SMILESCC(=O)c1c(C)cc(-c2ccccc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClO/c1-14-12-18(16-6-4-3-5-7-16)13-20(21(14)15(2)23)17-8-10-19(22)11-9-17/h3-13H,1-2H3
InChIKeyHSOFLVOOZJSOLB-UHFFFAOYSA-N
MW320.82 g/mol
LogP6.19
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone

1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone (PubChem CID 77461544) has the molecular formula C21H17ClO and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone
PubChem CID77461544
Molecular FormulaC21H17ClO
Molecular Weight320.82 g/mol
Exact Mass320.10
IUPAC Name1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone
SMILESCC(=O)c1c(C)cc(-c2ccccc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClO/c1-14-12-18(16-6-4-3-5-7-16)13-20(21(14)15(2)23)17-8-10-19(22)11-9-17/h3-13H,1-2H3
InChIKeyHSOFLVOOZJSOLB-UHFFFAOYSA-N
XLogP6.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone (CID 77461544) is 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone is CC(=O)c1c(C)cc(-c2ccccc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone?
The InChIKey is HSOFLVOOZJSOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO/c1-14-12-18(16-6-4-3-5-7-16)13-20(21(14)15(2)23)17-8-10-19(22)11-9-17/h3-13H,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone?
1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone has a molecular weight of 320.82 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-6-methyl-4-phenylphenyl]ethanone is sourced from PubChem (CID 77461544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).