1,5-diphenyl-4-sulfanylpentan-2-one

C17H18OS — CID 87477477

IUPAC1,5-diphenyl-4-sulfanylpentan-2-one
SMILESO=C(Cc1ccccc1)CC(S)Cc1ccccc1
InChIInChI=1S/C17H18OS/c18-16(11-14-7-3-1-4-8-14)13-17(19)12-15-9-5-2-6-10-15/h1-10,17,19H,11-13H2
InChIKeyPOVWKQXKNIOIBE-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.73
Rot. Bonds6

About 1,5-diphenyl-4-sulfanylpentan-2-one

1,5-diphenyl-4-sulfanylpentan-2-one (PubChem CID 87477477) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1,5-diphenyl-4-sulfanylpentan-2-one.

Molecular Properties

Compound Name1,5-diphenyl-4-sulfanylpentan-2-one
PubChem CID87477477
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name1,5-diphenyl-4-sulfanylpentan-2-one
SMILESO=C(Cc1ccccc1)CC(S)Cc1ccccc1
InChIInChI=1S/C17H18OS/c18-16(11-14-7-3-1-4-8-14)13-17(19)12-15-9-5-2-6-10-15/h1-10,17,19H,11-13H2
InChIKeyPOVWKQXKNIOIBE-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,3-diphenyl(213C)propan-2-one
CID 100945080
4,4-dimethoxy-1-phenylbutan-2-one
CID 154136374
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332
2-phenyl-N-[2-phenyl-1-[(2-phenylacetyl)amino]ethyl]acetamide
CID 71457306
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
4,5,5-trimethyl-1-phenylhexan-2-one
CID 63832749
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
CID 147604512
3-phenyl-2-sulfanylpropanethioic S-acid
CID 87523491
2-benzyl-5-(4-methylsulfanylphenyl)-4-oxopentanoic acid
CID 152789965
1-iodo-3-phenylpropan-2-one
CID 11425437

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-4-sulfanylpentan-2-one?
The IUPAC name of 1,5-diphenyl-4-sulfanylpentan-2-one (CID 87477477) is 1,5-diphenyl-4-sulfanylpentan-2-one.
What is the SMILES notation for 1,5-diphenyl-4-sulfanylpentan-2-one?
The canonical SMILES for 1,5-diphenyl-4-sulfanylpentan-2-one is O=C(Cc1ccccc1)CC(S)Cc1ccccc1.
What is the InChIKey of 1,5-diphenyl-4-sulfanylpentan-2-one?
The InChIKey is POVWKQXKNIOIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c18-16(11-14-7-3-1-4-8-14)13-17(19)12-15-9-5-2-6-10-15/h1-10,17,19H,11-13H2.
What are the key properties of 1,5-diphenyl-4-sulfanylpentan-2-one?
1,5-diphenyl-4-sulfanylpentan-2-one has a molecular weight of 270.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-4-sulfanylpentan-2-one is sourced from PubChem (CID 87477477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).