1-(2-methylphenyl)-4-phenylbutan-1-one

C17H18O — CID 62621150

IUPAC1-(2-methylphenyl)-4-phenylbutan-1-one
SMILESCc1ccccc1C(=O)CCCc1ccccc1
InChIInChI=1S/C17H18O/c1-14-8-5-6-12-16(14)17(18)13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3
InChIKeyQBICCWYYGVWTQV-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.20
Rot. Bonds5

About 1-(2-methylphenyl)-4-phenylbutan-1-one

1-(2-methylphenyl)-4-phenylbutan-1-one (PubChem CID 62621150) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-phenylbutan-1-one
PubChem CID62621150
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-(2-methylphenyl)-4-phenylbutan-1-one
SMILESCc1ccccc1C(=O)CCCc1ccccc1
InChIInChI=1S/C17H18O/c1-14-8-5-6-12-16(14)17(18)13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3
InChIKeyQBICCWYYGVWTQV-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-one
CID 114969894
8-(2-methylphenyl)-8-oxooctanoic acid
CID 24726897
1-(2-methylsulfanylphenyl)-4-phenylbutan-1-one
CID 114969898
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116605558
1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
CID 103434986
5-methyl-1-(2-methylphenyl)hexan-1-one
CID 83157538
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
5-phenylpentan-2-one
CID 16701
N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110612052
3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116603454

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2-methylphenyl)-4-phenylbutan-1-one (CID 62621150) is 1-(2-methylphenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2-methylphenyl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2-methylphenyl)-4-phenylbutan-1-one is Cc1ccccc1C(=O)CCCc1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-4-phenylbutan-1-one?
The InChIKey is QBICCWYYGVWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-14-8-5-6-12-16(14)17(18)13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-phenylbutan-1-one?
1-(2-methylphenyl)-4-phenylbutan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 62621150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).