1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one

C17H18O — CID 54912702

IUPAC1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H18O/c1-4-17(18)15-7-5-6-14(11-15)16-9-12(2)8-13(3)10-16/h5-11H,4H2,1-3H3
InChIKeyWKXCRIDNNVAKCS-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.56
Rot. Bonds3

About 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one

1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one (PubChem CID 54912702) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
PubChem CID54912702
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H18O/c1-4-17(18)15-7-5-6-14(11-15)16-9-12(2)8-13(3)10-16/h5-11H,4H2,1-3H3
InChIKeyWKXCRIDNNVAKCS-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(3-carboxyphenyl)-5-methylphenyl]benzoic acid
CID 163197733
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
1-[3-(1H-pyrrol-2-yl)phenyl]propan-1-one
CID 103341584
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1-[3-(3-hydroxy-5-methylphenyl)phenyl]ethanone
CID 53218902
1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
CID 55198842
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-phenyl(111C)propan-1-one
CID 11159350
2-[2-(3-methylphenyl)-5-propanoylbenzimidazol-1-yl]acetic acid
CID 94743154

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one?
The IUPAC name of 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one (CID 54912702) is 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one is CCC(=O)c1cccc(-c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one?
The InChIKey is WKXCRIDNNVAKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-4-17(18)15-7-5-6-14(11-15)16-9-12(2)8-13(3)10-16/h5-11H,4H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one?
1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one is sourced from PubChem (CID 54912702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).