1-[2-(4-methylphenyl)phenyl]propan-1-one

C16H16O — CID 67873243

IUPAC1-[2-(4-methylphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C16H16O/c1-3-16(17)15-7-5-4-6-14(15)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3
InChIKeyBWNABRLTUAKBFT-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.25
Rot. Bonds3

About 1-[2-(4-methylphenyl)phenyl]propan-1-one

1-[2-(4-methylphenyl)phenyl]propan-1-one (PubChem CID 67873243) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)phenyl]propan-1-one
PubChem CID67873243
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-[2-(4-methylphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C16H16O/c1-3-16(17)15-7-5-4-6-14(15)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3
InChIKeyBWNABRLTUAKBFT-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-(2-propanoylphenyl)benzoate
CID 174354570
1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one
CID 174612586
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
2-(2-propanoylphenyl)benzoic acid
CID 15194783
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876
(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
CID 171716642
butan-2-yl 2-(4-methylphenyl)benzoate
CID 139650592
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756
nonyl 2-(4-methylphenyl)benzoate
CID 90306403
1-[4-(2-hydroxyphenyl)phenyl]propan-1-one
CID 19877656
1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-one
CID 23015537
2-hydroxy-1-[2-[4-(methylamino)phenyl]phenyl]ethanone
CID 21043155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)phenyl]propan-1-one?
The IUPAC name of 1-[2-(4-methylphenyl)phenyl]propan-1-one (CID 67873243) is 1-[2-(4-methylphenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(4-methylphenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(4-methylphenyl)phenyl]propan-1-one is CCC(=O)c1ccccc1-c1ccc(C)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)phenyl]propan-1-one?
The InChIKey is BWNABRLTUAKBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-3-16(17)15-7-5-4-6-14(15)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)phenyl]propan-1-one?
1-[2-(4-methylphenyl)phenyl]propan-1-one has a molecular weight of 224.30 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)phenyl]propan-1-one is sourced from PubChem (CID 67873243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).