1-phenyl-4-phenylsulfanylpentan-3-one

C17H18OS — CID 134935307

IUPAC1-phenyl-4-phenylsulfanylpentan-3-one
SMILESCC(Sc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C17H18OS/c1-14(19-16-10-6-3-7-11-16)17(18)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyHMRWBJLEEVDNCM-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.37
Rot. Bonds6

About 1-phenyl-4-phenylsulfanylpentan-3-one

1-phenyl-4-phenylsulfanylpentan-3-one (PubChem CID 134935307) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-phenyl-4-phenylsulfanylpentan-3-one.

Molecular Properties

Compound Name1-phenyl-4-phenylsulfanylpentan-3-one
PubChem CID134935307
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name1-phenyl-4-phenylsulfanylpentan-3-one
SMILESCC(Sc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C17H18OS/c1-14(19-16-10-6-3-7-11-16)17(18)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyHMRWBJLEEVDNCM-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-oxo-4-phenyl-1-phenylsulfanylbutyl) acetate
CID 102258849
4-bromo-1-phenylpentan-3-one
CID 121216753
4-ethyl-1-phenylhexan-3-one
CID 71072308
(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
CID 54757376
(2S)-2-phenylsulfanylpropanoate
CID 7127744
4-hydroxy-1-phenylhexan-3-one
CID 103453087
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
benzyl carbamate;2-phenylsulfanylpropanoic acid
CID 18690490
ethane;3-phenylpropanoyl chloride
CID 90742356
2-hydroxy-1,5-diphenylpentan-3-one
CID 14469744

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-phenylsulfanylpentan-3-one?
The IUPAC name of 1-phenyl-4-phenylsulfanylpentan-3-one (CID 134935307) is 1-phenyl-4-phenylsulfanylpentan-3-one.
What is the SMILES notation for 1-phenyl-4-phenylsulfanylpentan-3-one?
The canonical SMILES for 1-phenyl-4-phenylsulfanylpentan-3-one is CC(Sc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of 1-phenyl-4-phenylsulfanylpentan-3-one?
The InChIKey is HMRWBJLEEVDNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-14(19-16-10-6-3-7-11-16)17(18)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3.
What are the key properties of 1-phenyl-4-phenylsulfanylpentan-3-one?
1-phenyl-4-phenylsulfanylpentan-3-one has a molecular weight of 270.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-phenylsulfanylpentan-3-one is sourced from PubChem (CID 134935307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).