1-(1-phenylpentylsulfinyl)pentylbenzene

C22H30OS — CID 118387967

IUPAC1-(1-phenylpentylsulfinyl)pentylbenzene
SMILESCCCCC(c1ccccc1)S(=O)C(CCCC)c1ccccc1
InChIInChI=1S/C22H30OS/c1-3-5-17-21(19-13-9-7-10-14-19)24(23)22(18-6-4-2)20-15-11-8-12-16-20/h7-16,21-22H,3-6,17-18H2,1-2H3
InChIKeyYCYRHLSXKYKSTH-UHFFFAOYSA-N
MW342.55 g/mol
LogP6.60
Rot. Bonds10

About 1-(1-phenylpentylsulfinyl)pentylbenzene

1-(1-phenylpentylsulfinyl)pentylbenzene (PubChem CID 118387967) has the molecular formula C22H30OS and a molecular weight of 342.55 g/mol. Its IUPAC name is 1-(1-phenylpentylsulfinyl)pentylbenzene.

Molecular Properties

Compound Name1-(1-phenylpentylsulfinyl)pentylbenzene
PubChem CID118387967
Molecular FormulaC22H30OS
Molecular Weight342.55 g/mol
Exact Mass342.20
IUPAC Name1-(1-phenylpentylsulfinyl)pentylbenzene
SMILESCCCCC(c1ccccc1)S(=O)C(CCCC)c1ccccc1
InChIInChI=1S/C22H30OS/c1-3-5-17-21(19-13-9-7-10-14-19)24(23)22(18-6-4-2)20-15-11-8-12-16-20/h7-16,21-22H,3-6,17-18H2,1-2H3
InChIKeyYCYRHLSXKYKSTH-UHFFFAOYSA-N
XLogP6.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754
CID 173139841
CID 173139841
1-phosphorosopentylbenzene
CID 54262186
heptan-3-ylbenzene;methane
CID 159006232
1-isocyanopentylbenzene
CID 172755000
[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465
CID 67584545
CID 67584545
1-phenylpentyl formate
CID 54289292
3-phenylheptanal
CID 10954355
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpentylsulfinyl)pentylbenzene?
The IUPAC name of 1-(1-phenylpentylsulfinyl)pentylbenzene (CID 118387967) is 1-(1-phenylpentylsulfinyl)pentylbenzene.
What is the SMILES notation for 1-(1-phenylpentylsulfinyl)pentylbenzene?
The canonical SMILES for 1-(1-phenylpentylsulfinyl)pentylbenzene is CCCCC(c1ccccc1)S(=O)C(CCCC)c1ccccc1.
What is the InChIKey of 1-(1-phenylpentylsulfinyl)pentylbenzene?
The InChIKey is YCYRHLSXKYKSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30OS/c1-3-5-17-21(19-13-9-7-10-14-19)24(23)22(18-6-4-2)20-15-11-8-12-16-20/h7-16,21-22H,3-6,17-18H2,1-2H3.
What are the key properties of 1-(1-phenylpentylsulfinyl)pentylbenzene?
1-(1-phenylpentylsulfinyl)pentylbenzene has a molecular weight of 342.55 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpentylsulfinyl)pentylbenzene is sourced from PubChem (CID 118387967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).