1-[4-(3,5-dimethylphenyl)phenyl]ethanone

C16H16O — CID 11148810

IUPAC1-[4-(3,5-dimethylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H16O/c1-11-8-12(2)10-16(9-11)15-6-4-14(5-7-15)13(3)17/h4-10H,1-3H3
InChIKeyUBMOPBKMERPGRG-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.17
Rot. Bonds2

About 1-[4-(3,5-dimethylphenyl)phenyl]ethanone

1-[4-(3,5-dimethylphenyl)phenyl]ethanone (PubChem CID 11148810) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)phenyl]ethanone
PubChem CID11148810
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-[4-(3,5-dimethylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H16O/c1-11-8-12(2)10-16(9-11)15-6-4-14(5-7-15)13(3)17/h4-10H,1-3H3
InChIKeyUBMOPBKMERPGRG-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
1-[4-[2-[4-(4-methylphenyl)phenyl]ethynyl]phenyl]ethanone
CID 18738024
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone
CID 53221795
4-(3-hydroxy-5-methylphenyl)benzoic acid
CID 53218919
ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone
CID 160788394
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
CID 157412429

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)phenyl]ethanone (CID 11148810) is 1-[4-(3,5-dimethylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)phenyl]ethanone is CC(=O)c1ccc(-c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)phenyl]ethanone?
The InChIKey is UBMOPBKMERPGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-11-8-12(2)10-16(9-11)15-6-4-14(5-7-15)13(3)17/h4-10H,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylphenyl)phenyl]ethanone?
1-[4-(3,5-dimethylphenyl)phenyl]ethanone has a molecular weight of 224.30 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylphenyl)phenyl]ethanone is sourced from PubChem (CID 11148810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).