2,2-diphenylpentan-3-one

C17H18O — CID 70793023

IUPAC2,2-diphenylpentan-3-one
SMILESCCC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O/c1-3-16(18)17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyAATZONKSDABUEV-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.97
Rot. Bonds4

About 2,2-diphenylpentan-3-one

2,2-diphenylpentan-3-one (PubChem CID 70793023) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,2-diphenylpentan-3-one.

Molecular Properties

Compound Name2,2-diphenylpentan-3-one
PubChem CID70793023
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2,2-diphenylpentan-3-one
SMILESCCC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O/c1-3-16(18)17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyAATZONKSDABUEV-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis(4-hydroxyphenyl)pentan-3-one
CID 102133981
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one
CID 101403805
4-ethyl-4-phenylhexan-3-one
CID 63083231
5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one
CID 145233914
5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one
CID 145233925
4-amino-4-phenylhexan-3-one
CID 67459117
(1-amino-2-oxo-1-phenylbutyl) hypochlorite
CID 151805316
2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one
CID 159710699
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
2-methyl-5-methylidene-2-phenylheptan-3-one
CID 66044807
2-methyl-2-phenylsulfanylpentan-3-one
CID 13353123

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylpentan-3-one?
The IUPAC name of 2,2-diphenylpentan-3-one (CID 70793023) is 2,2-diphenylpentan-3-one.
What is the SMILES notation for 2,2-diphenylpentan-3-one?
The canonical SMILES for 2,2-diphenylpentan-3-one is CCC(=O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylpentan-3-one?
The InChIKey is AATZONKSDABUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-3-16(18)17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3.
What are the key properties of 2,2-diphenylpentan-3-one?
2,2-diphenylpentan-3-one has a molecular weight of 238.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylpentan-3-one is sourced from PubChem (CID 70793023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).