1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one

C17H18O — CID 163630604

IUPAC1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Cc2ccc(C)cc2)c1
InChIInChI=1S/C17H18O/c1-13-6-8-15(9-7-13)11-17-5-3-4-16(12-17)10-14(2)18/h3-9,12H,10-11H2,1-2H3
InChIKeyQSXGGAXSUPCWCI-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.72
Rot. Bonds4

About 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one

1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one (PubChem CID 163630604) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one
PubChem CID163630604
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Cc2ccc(C)cc2)c1
InChIInChI=1S/C17H18O/c1-13-6-8-15(9-7-13)11-17-5-3-4-16(12-17)10-14(2)18/h3-9,12H,10-11H2,1-2H3
InChIKeyQSXGGAXSUPCWCI-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
2-(3-benzylphenyl)acetic acid
CID 22590987
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-(3-phosphanylphenyl)propan-2-one
CID 142179381
3-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
4,6-bis[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 22269445
1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 157078142
1-benzyl-4-methylbenzene;toluene
CID 144690555
benzene;1-phenylpropan-2-one
CID 21430852
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
1-(3-methylsulfanylphenyl)propan-2-one
CID 53248151

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one?
The IUPAC name of 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one (CID 163630604) is 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one is CC(=O)Cc1cccc(Cc2ccc(C)cc2)c1.
What is the InChIKey of 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one?
The InChIKey is QSXGGAXSUPCWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-13-6-8-15(9-7-13)11-17-5-3-4-16(12-17)10-14(2)18/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one?
1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one has a molecular weight of 238.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one is sourced from PubChem (CID 163630604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).