4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one

C18H20O — CID 55067851

IUPAC4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one
SMILESCc1cccc(CC(=O)CCc2ccccc2C)c1
InChIInChI=1S/C18H20O/c1-14-6-5-8-16(12-14)13-18(19)11-10-17-9-4-3-7-15(17)2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyUELHTBWKWYOZQA-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.05
Rot. Bonds5

About 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one

4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one (PubChem CID 55067851) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one
PubChem CID55067851
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one
SMILESCc1cccc(CC(=O)CCc2ccccc2C)c1
InChIInChI=1S/C18H20O/c1-14-6-5-8-16(12-14)13-18(19)11-10-17-9-4-3-7-15(17)2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyUELHTBWKWYOZQA-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1-(3,5-difluorophenyl)-4-(2-methylphenyl)butan-2-one
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1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-(3-methylphenyl)-4-phenoxybutan-2-one
CID 55023485
4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one
CID 66448415
1-(3-methylphenyl)hept-5-yn-2-one
CID 104803120
5-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116571386
1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one
CID 174915700
6-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116607590
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
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CID 60798384

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one?
The IUPAC name of 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one (CID 55067851) is 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one?
The canonical SMILES for 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one is Cc1cccc(CC(=O)CCc2ccccc2C)c1.
What is the InChIKey of 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one?
The InChIKey is UELHTBWKWYOZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-14-6-5-8-16(12-14)13-18(19)11-10-17-9-4-3-7-15(17)2/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one?
4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one has a molecular weight of 252.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one is sourced from PubChem (CID 55067851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).