2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone

C17H18O — CID 54911077

IUPAC2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccccc2C)c1
InChIInChI=1S/C17H18O/c1-12-8-13(2)10-15(9-12)11-17(18)16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3
InChIKeyWGYXAMSEQJUMBX-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.04
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone

2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone (PubChem CID 54911077) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
PubChem CID54911077
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccccc2C)c1
InChIInChI=1S/C17H18O/c1-12-8-13(2)10-15(9-12)11-17(18)16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3
InChIKeyWGYXAMSEQJUMBX-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone
CID 114963222
2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 114963247
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63409860
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
1-(2,3-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 63989422
1-(2,4-dibromophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 107944282
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 62802575
2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone
CID 62813173
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62766577
2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone
CID 59293832

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone (CID 54911077) is 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone is Cc1cc(C)cc(CC(=O)c2ccccc2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone?
The InChIKey is WGYXAMSEQJUMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-8-13(2)10-15(9-12)11-17(18)16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone?
2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 54911077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).