(3R)-1,3-diphenylpentan-1-one

C17H18O — CID 11042799

IUPAC(3R)-1,3-diphenylpentan-1-one
SMILESCC[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3/t14-/m1/s1
InChIKeyKRUIOJKRONYXTA-CQSZACIVSA-N
MW238.33 g/mol
LogP4.45
Rot. Bonds5

About (3R)-1,3-diphenylpentan-1-one

(3R)-1,3-diphenylpentan-1-one (PubChem CID 11042799) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (3R)-1,3-diphenylpentan-1-one.

Molecular Properties

Compound Name(3R)-1,3-diphenylpentan-1-one
PubChem CID11042799
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(3R)-1,3-diphenylpentan-1-one
SMILESCC[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3/t14-/m1/s1
InChIKeyKRUIOJKRONYXTA-CQSZACIVSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
1-(3-methoxyphenyl)-3-phenylpentan-1-one
CID 72785339
ethane;3-phenylpentanoic acid
CID 142147200
(3S)-3-phenylpentanoyl chloride
CID 42074098
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
S-dodecyl (3S)-5-oxo-3,5-diphenylpentanethioate
CID 11974271
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one
CID 176881925
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
CID 11290437

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-diphenylpentan-1-one?
The IUPAC name of (3R)-1,3-diphenylpentan-1-one (CID 11042799) is (3R)-1,3-diphenylpentan-1-one.
What is the SMILES notation for (3R)-1,3-diphenylpentan-1-one?
The canonical SMILES for (3R)-1,3-diphenylpentan-1-one is CC[C@H](CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-1,3-diphenylpentan-1-one?
The InChIKey is KRUIOJKRONYXTA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18O/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1,3-diphenylpentan-1-one?
(3R)-1,3-diphenylpentan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-diphenylpentan-1-one is sourced from PubChem (CID 11042799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).