4-(4-phenylbutylsulfinyl)butylbenzene

C20H26OS — CID 66797089

IUPAC4-(4-phenylbutylsulfinyl)butylbenzene
SMILESO=S(CCCCc1ccccc1)CCCCc1ccccc1
InChIInChI=1S/C20H26OS/c21-22(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2
InChIKeyDNFFOPYBSSMYLH-UHFFFAOYSA-N
MW314.49 g/mol
LogP4.78
Rot. Bonds10

About 4-(4-phenylbutylsulfinyl)butylbenzene

4-(4-phenylbutylsulfinyl)butylbenzene (PubChem CID 66797089) has the molecular formula C20H26OS and a molecular weight of 314.49 g/mol. Its IUPAC name is 4-(4-phenylbutylsulfinyl)butylbenzene.

Molecular Properties

Compound Name4-(4-phenylbutylsulfinyl)butylbenzene
PubChem CID66797089
Molecular FormulaC20H26OS
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Name4-(4-phenylbutylsulfinyl)butylbenzene
SMILESO=S(CCCCc1ccccc1)CCCCc1ccccc1
InChIInChI=1S/C20H26OS/c21-22(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2
InChIKeyDNFFOPYBSSMYLH-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(R)-4-phenylbutylsulfinyl]acetic acid
CID 124595116
2-methyl-1-(4-phenylbutylsulfinyl)propan-2-amine
CID 114335103
4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
1-fluoro-4-(4-phenylbutylsulfinyl)benzene
CID 114334866
5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
CID 10850088
1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene
CID 91641452
2-(4-phenylbutylsulfinyl)benzoic acid
CID 114334376
2-methyl-3-(3-phenylpropylsulfinyl)propan-1-amine
CID 81201119
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbutylsulfinyl)butylbenzene?
The IUPAC name of 4-(4-phenylbutylsulfinyl)butylbenzene (CID 66797089) is 4-(4-phenylbutylsulfinyl)butylbenzene.
What is the SMILES notation for 4-(4-phenylbutylsulfinyl)butylbenzene?
The canonical SMILES for 4-(4-phenylbutylsulfinyl)butylbenzene is O=S(CCCCc1ccccc1)CCCCc1ccccc1.
What is the InChIKey of 4-(4-phenylbutylsulfinyl)butylbenzene?
The InChIKey is DNFFOPYBSSMYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OS/c21-22(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2.
What are the key properties of 4-(4-phenylbutylsulfinyl)butylbenzene?
4-(4-phenylbutylsulfinyl)butylbenzene has a molecular weight of 314.49 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbutylsulfinyl)butylbenzene is sourced from PubChem (CID 66797089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).