1,5-diphenylpentan-3-one

C17H18O — CID 21496

IUPAC1,5-diphenylpentan-3-one
SMILESO=C(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H18O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyJENANTGGBLOTIB-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.82
Rot. Bonds6

About 1,5-diphenylpentan-3-one

1,5-diphenylpentan-3-one (PubChem CID 21496) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,5-diphenylpentan-3-one.

Molecular Properties

Compound Name1,5-diphenylpentan-3-one
PubChem CID21496
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1,5-diphenylpentan-3-one
SMILESO=C(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H18O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyJENANTGGBLOTIB-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzophenone
CID 3102
Chalcone
CID 637760
Dibenzoylmethane
CID 8433
Benzyl acetone
CID 17355
Benzil
CID 8651
Diphenylcyclopropenone
CID 65057
Phenylacetone
CID 7678
(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
CID 640180
Phenyl-1,4-benzoquinone
CID 9688
Cyclohexyl phenyl ketone
CID 12837
1,3-Diphenyl-2-propanone
CID 7593
4,4'-Difluorobenzophenone
CID 9582

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpentan-3-one?
The IUPAC name of 1,5-diphenylpentan-3-one (CID 21496) is 1,5-diphenylpentan-3-one.
What is the SMILES notation for 1,5-diphenylpentan-3-one?
The canonical SMILES for 1,5-diphenylpentan-3-one is O=C(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 1,5-diphenylpentan-3-one?
The InChIKey is JENANTGGBLOTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 1,5-diphenylpentan-3-one?
1,5-diphenylpentan-3-one has a molecular weight of 238.33 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpentan-3-one is sourced from PubChem (CID 21496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).