1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one

C17H18O — CID 114081436

IUPAC1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2cccc(C)c2C)cc1
InChIInChI=1S/C17H18O/c1-12-5-4-6-17(14(12)3)16-9-7-15(8-10-16)11-13(2)18/h4-10H,11H2,1-3H3
InChIKeyCQKFEWYUKYMCBU-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.10
Rot. Bonds3

About 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one

1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one (PubChem CID 114081436) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
PubChem CID114081436
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2cccc(C)c2C)cc1
InChIInChI=1S/C17H18O/c1-12-5-4-6-17(14(12)3)16-9-7-15(8-10-16)11-13(2)18/h4-10H,11H2,1-3H3
InChIKeyCQKFEWYUKYMCBU-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
(E)-3-[4-(2,3-dimethylphenyl)phenyl]but-2-enoic acid
CID 82092013
1-[4-(3-chloro-2-methylphenyl)phenyl]-3-methylbutan-2-one
CID 82540979
2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid
CID 82092597
1-(4-iodophenyl)-2,3-dimethylbenzene
CID 20871963
4-(2,3-dimethylphenyl)benzaldehyde
CID 53426139
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one
CID 175319649
1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one
CID 174905893
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one (CID 114081436) is 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one is CC(=O)Cc1ccc(-c2cccc(C)c2C)cc1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one?
The InChIKey is CQKFEWYUKYMCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-5-4-6-17(14(12)3)16-9-7-15(8-10-16)11-13(2)18/h4-10H,11H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one?
1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one has a molecular weight of 238.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one is sourced from PubChem (CID 114081436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).