1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone

C17H17ClO — CID 106865109

IUPAC1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2c(C)cccc2C)c(Cl)c1
InChIInChI=1S/C17H17ClO/c1-11-7-8-14(16(18)9-11)17(19)10-15-12(2)5-4-6-13(15)3/h4-9H,10H2,1-3H3
InChIKeyHVHAPCMICGTDAY-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.69
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone

1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 106865109) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID106865109
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2c(C)cccc2C)c(Cl)c1
InChIInChI=1S/C17H17ClO/c1-11-7-8-14(16(18)9-11)17(19)10-15-12(2)5-4-6-13(15)3/h4-9H,10H2,1-3H3
InChIKeyHVHAPCMICGTDAY-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792581
1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656
1-(2-chloro-4-methylphenyl)-3,3-dimethylbutan-1-one
CID 146009717

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone (CID 106865109) is 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone is Cc1ccc(C(=O)Cc2c(C)cccc2C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is HVHAPCMICGTDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-11-7-8-14(16(18)9-11)17(19)10-15-12(2)5-4-6-13(15)3/h4-9H,10H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 272.78 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 106865109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).