3-(4-phenylphenyl)butan-2-one

C16H16O — CID 66468835

IUPAC3-(4-phenylphenyl)butan-2-one
SMILESCC(=O)C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O/c1-12(13(2)17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyDILHVADGYWOBEC-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.05
Rot. Bonds3

About 3-(4-phenylphenyl)butan-2-one

3-(4-phenylphenyl)butan-2-one (PubChem CID 66468835) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(4-phenylphenyl)butan-2-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)butan-2-one
PubChem CID66468835
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3-(4-phenylphenyl)butan-2-one
SMILESCC(=O)C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O/c1-12(13(2)17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyDILHVADGYWOBEC-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
1-phenyl-1-(4-phenylphenyl)propan-2-one
CID 156769575
1-chloro-3-(4-phenylphenyl)butan-2-one
CID 15676008
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
3-(4-chlorophenyl)butan-2-one
CID 21269944
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
acetic acid;1,1'-biphenyl;ethane
CID 91464981

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)butan-2-one?
The IUPAC name of 3-(4-phenylphenyl)butan-2-one (CID 66468835) is 3-(4-phenylphenyl)butan-2-one.
What is the SMILES notation for 3-(4-phenylphenyl)butan-2-one?
The canonical SMILES for 3-(4-phenylphenyl)butan-2-one is CC(=O)C(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)butan-2-one?
The InChIKey is DILHVADGYWOBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12(13(2)17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 3-(4-phenylphenyl)butan-2-one?
3-(4-phenylphenyl)butan-2-one has a molecular weight of 224.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)butan-2-one is sourced from PubChem (CID 66468835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).