4-butylsulfanyl-2,6-diphenylphenol

C22H22OS — CID 66619517

IUPAC4-butylsulfanyl-2,6-diphenylphenol
SMILESCCCCSc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C22H22OS/c1-2-3-14-24-19-15-20(17-10-6-4-7-11-17)22(23)21(16-19)18-12-8-5-9-13-18/h4-13,15-16,23H,2-3,14H2,1H3
InChIKeyOATWSOWUSLJSPZ-UHFFFAOYSA-N
MW334.48 g/mol
LogP6.62
Rot. Bonds6

About 4-butylsulfanyl-2,6-diphenylphenol

4-butylsulfanyl-2,6-diphenylphenol (PubChem CID 66619517) has the molecular formula C22H22OS and a molecular weight of 334.48 g/mol. Its IUPAC name is 4-butylsulfanyl-2,6-diphenylphenol.

Molecular Properties

Compound Name4-butylsulfanyl-2,6-diphenylphenol
PubChem CID66619517
Molecular FormulaC22H22OS
Molecular Weight334.48 g/mol
Exact Mass334.14
IUPAC Name4-butylsulfanyl-2,6-diphenylphenol
SMILESCCCCSc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C22H22OS/c1-2-3-14-24-19-15-20(17-10-6-4-7-11-17)22(23)21(16-19)18-12-8-5-9-13-18/h4-13,15-16,23H,2-3,14H2,1H3
InChIKeyOATWSOWUSLJSPZ-UHFFFAOYSA-N
XLogP6.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-4-(4-hydroxy-3,5-diphenylphenyl)sulfanylbutanamide
CID 19753031
4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol
CID 139825043
4-(dibutylamino)-2,6-diphenylphenol
CID 22095865
4-butylsulfanyl-2-methanimidoyl-6-naphthalen-1-ylphenol
CID 144894508
(4-hydroxy-3,5-diphenylphenyl) octanoate
CID 151179721
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144
2,6-dimethyl-4-nonylsulfanylphenol
CID 66619666
4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol
CID 139825093
nickel;octylsulfanylbenzene
CID 157277722
2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
bromobenzene;1-bromo-3-butylsulfanylbenzene
CID 158800951

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-2,6-diphenylphenol?
The IUPAC name of 4-butylsulfanyl-2,6-diphenylphenol (CID 66619517) is 4-butylsulfanyl-2,6-diphenylphenol.
What is the SMILES notation for 4-butylsulfanyl-2,6-diphenylphenol?
The canonical SMILES for 4-butylsulfanyl-2,6-diphenylphenol is CCCCSc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-butylsulfanyl-2,6-diphenylphenol?
The InChIKey is OATWSOWUSLJSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22OS/c1-2-3-14-24-19-15-20(17-10-6-4-7-11-17)22(23)21(16-19)18-12-8-5-9-13-18/h4-13,15-16,23H,2-3,14H2,1H3.
What are the key properties of 4-butylsulfanyl-2,6-diphenylphenol?
4-butylsulfanyl-2,6-diphenylphenol has a molecular weight of 334.48 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanyl-2,6-diphenylphenol is sourced from PubChem (CID 66619517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).