1-(4-phenylphenyl)-3-sulfanylpropan-1-one

C15H14OS — CID 116830745

IUPAC1-(4-phenylphenyl)-3-sulfanylpropan-1-one
SMILESO=C(CCS)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14OS/c16-15(10-11-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyGWZRHTAKKNVZKY-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.86
Rot. Bonds4

About 1-(4-phenylphenyl)-3-sulfanylpropan-1-one

1-(4-phenylphenyl)-3-sulfanylpropan-1-one (PubChem CID 116830745) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-sulfanylpropan-1-one
PubChem CID116830745
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name1-(4-phenylphenyl)-3-sulfanylpropan-1-one
SMILESO=C(CCS)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14OS/c16-15(10-11-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyGWZRHTAKKNVZKY-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.86
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

2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
9-amino-1-(4-phenylphenyl)nonane-1,4-dione
CID 58554687
ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 142964448
1-(4-phenylphenyl)-2-(tribromo-λ4-tellanyl)ethanone
CID 134926027
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 91727584
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one
CID 58190197

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-sulfanylpropan-1-one?
The IUPAC name of 1-(4-phenylphenyl)-3-sulfanylpropan-1-one (CID 116830745) is 1-(4-phenylphenyl)-3-sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-phenylphenyl)-3-sulfanylpropan-1-one?
The canonical SMILES for 1-(4-phenylphenyl)-3-sulfanylpropan-1-one is O=C(CCS)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-sulfanylpropan-1-one?
The InChIKey is GWZRHTAKKNVZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c16-15(10-11-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,17H,10-11H2.
What are the key properties of 1-(4-phenylphenyl)-3-sulfanylpropan-1-one?
1-(4-phenylphenyl)-3-sulfanylpropan-1-one has a molecular weight of 242.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-sulfanylpropan-1-one is sourced from PubChem (CID 116830745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).