1,2-bis(2-methylphenyl)ethanone

C16H16O — CID 11345119

IUPAC1,2-bis(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccccc1C
InChIInChI=1S/C16H16O/c1-12-7-3-5-9-14(12)11-16(17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChIKeyAEALAJOWAQVKHH-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.73
Rot. Bonds3

About 1,2-bis(2-methylphenyl)ethanone

1,2-bis(2-methylphenyl)ethanone (PubChem CID 11345119) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,2-bis(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1,2-bis(2-methylphenyl)ethanone
PubChem CID11345119
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1,2-bis(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccccc1C
InChIInChI=1S/C16H16O/c1-12-7-3-5-9-14(12)11-16(17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChIKeyAEALAJOWAQVKHH-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-aminophenyl)-2-(2-methylphenyl)ethanone
CID 64832569
2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803189
1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62771239
2-(2-methylphenyl)acetic acid
CID 67440217
2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
CID 54911077
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone
CID 59293832
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylphenyl)ethanone?
The IUPAC name of 1,2-bis(2-methylphenyl)ethanone (CID 11345119) is 1,2-bis(2-methylphenyl)ethanone.
What is the SMILES notation for 1,2-bis(2-methylphenyl)ethanone?
The canonical SMILES for 1,2-bis(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)c1ccccc1C.
What is the InChIKey of 1,2-bis(2-methylphenyl)ethanone?
The InChIKey is AEALAJOWAQVKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12-7-3-5-9-14(12)11-16(17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3.
What are the key properties of 1,2-bis(2-methylphenyl)ethanone?
1,2-bis(2-methylphenyl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylphenyl)ethanone is sourced from PubChem (CID 11345119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).