1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone

C17H17ClO — CID 115792581

IUPAC1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2c(C)cccc2C)c1Cl
InChIInChI=1S/C17H17ClO/c1-11-6-4-7-12(2)15(11)10-16(19)14-9-5-8-13(3)17(14)18/h4-9H,10H2,1-3H3
InChIKeyTUBNNYNYZJXTNX-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.69
Rot. Bonds3

About 1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone

1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 115792581) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID115792581
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2c(C)cccc2C)c1Cl
InChIInChI=1S/C17H17ClO/c1-11-6-4-7-12(2)15(11)10-16(19)14-9-5-8-13(3)17(14)18/h4-9H,10H2,1-3H3
InChIKeyTUBNNYNYZJXTNX-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

3-amino-1-(2-chloro-3-methylphenyl)propan-1-one
CID 117287477
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786506
1-(2-chloro-3-methylphenyl)pent-3-yn-1-one
CID 114964956
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978978
1-(2-chloro-3-methylphenyl)octadecan-1-one
CID 174846983
1-(2-chloro-3-methylphenyl)-2-propoxyethanone
CID 115783219
6-bromo-1-(2-chloro-3-methylphenyl)hexan-1-one
CID 146009917

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone (CID 115792581) is 1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone is Cc1cccc(C(=O)Cc2c(C)cccc2C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is TUBNNYNYZJXTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-11-6-4-7-12(2)15(11)10-16(19)14-9-5-8-13(3)17(14)18/h4-9H,10H2,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
1-(2-chloro-3-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-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 115792581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).