1-phenyl-2-phenylsulfanylpentan-1-one

C17H18OS — CID 4152815

IUPAC1-phenyl-2-phenylsulfanylpentan-1-one
SMILESCCCC(Sc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18OS/c1-2-9-16(19-15-12-7-4-8-13-15)17(18)14-10-5-3-6-11-14/h3-8,10-13,16H,2,9H2,1H3
InChIKeyIADORRFXSRDEMA-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.83
Rot. Bonds6

About 1-phenyl-2-phenylsulfanylpentan-1-one

1-phenyl-2-phenylsulfanylpentan-1-one (PubChem CID 4152815) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-phenyl-2-phenylsulfanylpentan-1-one.

Molecular Properties

Compound Name1-phenyl-2-phenylsulfanylpentan-1-one
PubChem CID4152815
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name1-phenyl-2-phenylsulfanylpentan-1-one
SMILESCCCC(Sc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18OS/c1-2-9-16(19-15-12-7-4-8-13-15)17(18)14-10-5-3-6-11-14/h3-8,10-13,16H,2,9H2,1H3
InChIKeyIADORRFXSRDEMA-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-phenylsulfanylpentan-1-one?
The IUPAC name of 1-phenyl-2-phenylsulfanylpentan-1-one (CID 4152815) is 1-phenyl-2-phenylsulfanylpentan-1-one.
What is the SMILES notation for 1-phenyl-2-phenylsulfanylpentan-1-one?
The canonical SMILES for 1-phenyl-2-phenylsulfanylpentan-1-one is CCCC(Sc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-phenylsulfanylpentan-1-one?
The InChIKey is IADORRFXSRDEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-2-9-16(19-15-12-7-4-8-13-15)17(18)14-10-5-3-6-11-14/h3-8,10-13,16H,2,9H2,1H3.
What are the key properties of 1-phenyl-2-phenylsulfanylpentan-1-one?
1-phenyl-2-phenylsulfanylpentan-1-one has a molecular weight of 270.40 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-phenylsulfanylpentan-1-one is sourced from PubChem (CID 4152815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).