(3S,4R)-1,3,4-triphenylpentan-1-one

C23H22O — CID 101039537

IUPAC(3S,4R)-1,3,4-triphenylpentan-1-one
SMILESC[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O/c1-18(19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)17-23(24)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/t18-,22-/m0/s1
InChIKeyLIKUXTCBHNSSQG-AVRDEDQJSA-N
MW314.43 g/mol
LogP5.85
Rot. Bonds6

About (3S,4R)-1,3,4-triphenylpentan-1-one

(3S,4R)-1,3,4-triphenylpentan-1-one (PubChem CID 101039537) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is (3S,4R)-1,3,4-triphenylpentan-1-one.

Molecular Properties

Compound Name(3S,4R)-1,3,4-triphenylpentan-1-one
PubChem CID101039537
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name(3S,4R)-1,3,4-triphenylpentan-1-one
SMILESC[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O/c1-18(19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)17-23(24)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/t18-,22-/m0/s1
InChIKeyLIKUXTCBHNSSQG-AVRDEDQJSA-N
XLogP5.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate
CID 58174664
2-bromo-1,3,5-triphenylpentane-1,5-dione
CID 13250146
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(Z,4S,5S)-4-methyl-7-oxo-5,7-diphenylhept-2-enenitrile
CID 101229632
(Z,4R,5R)-4-methyl-7-oxo-5,7-diphenylhept-2-enenitrile
CID 101229631
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
(3R)-1,3-diphenylpentan-1-one
CID 11042799
(3R,4R)-4-(benzhydrylideneamino)-1,3,4-triphenylbutan-1-one
CID 27153365
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,3,4-triphenylpentan-1-one?
The IUPAC name of (3S,4R)-1,3,4-triphenylpentan-1-one (CID 101039537) is (3S,4R)-1,3,4-triphenylpentan-1-one.
What is the SMILES notation for (3S,4R)-1,3,4-triphenylpentan-1-one?
The canonical SMILES for (3S,4R)-1,3,4-triphenylpentan-1-one is C[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R)-1,3,4-triphenylpentan-1-one?
The InChIKey is LIKUXTCBHNSSQG-AVRDEDQJSA-N. The full InChI is InChI=1S/C23H22O/c1-18(19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)17-23(24)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/t18-,22-/m0/s1.
What are the key properties of (3S,4R)-1,3,4-triphenylpentan-1-one?
(3S,4R)-1,3,4-triphenylpentan-1-one has a molecular weight of 314.43 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,3,4-triphenylpentan-1-one is sourced from PubChem (CID 101039537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).