4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol

C26H36OS — CID 71261043

IUPAC4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol
SMILESCc1ccccc1-c1cc(C(C)(C)C)cc(CSC2CCCCCCC2)c1O
InChIInChI=1S/C26H36OS/c1-19-12-10-11-15-23(19)24-17-21(26(2,3)4)16-20(25(24)27)18-28-22-13-8-6-5-7-9-14-22/h10-12,15-17,22,27H,5-9,13-14,18H2,1-4H3
InChIKeyDDUKMEOEYQVWIE-UHFFFAOYSA-N
MW396.64 g/mol
LogP8.01
Rot. Bonds4

About 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol

4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol (PubChem CID 71261043) has the molecular formula C26H36OS and a molecular weight of 396.64 g/mol. Its IUPAC name is 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol
PubChem CID71261043
Molecular FormulaC26H36OS
Molecular Weight396.64 g/mol
Exact Mass396.25
IUPAC Name4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol
SMILESCc1ccccc1-c1cc(C(C)(C)C)cc(CSC2CCCCCCC2)c1O
InChIInChI=1S/C26H36OS/c1-19-12-10-11-15-23(19)24-17-21(26(2,3)4)16-20(25(24)27)18-28-22-13-8-6-5-7-9-14-22/h10-12,15-17,22,27H,5-9,13-14,18H2,1-4H3
InChIKeyDDUKMEOEYQVWIE-UHFFFAOYSA-N
XLogP8.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.64
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-[[(2S)-2-[[5-tert-butyl-3-(2,6-dimethylphenyl)-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-(2,6-dimethylphenyl)phenol
CID 71261328
2,4-ditert-butyl-6-(cyclohexylsulfanylmethyl)phenol
CID 102028542
4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-sulfanylphenol
CID 144527159
4-tert-butyl-2-[[(2S)-2-[[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-(2,4,6-trimethylphenyl)phenol
CID 71261334
2-(3-butan-2-yl-5-methylphenyl)-4-tert-butyl-6-(cyclooctylsulfanylmethyl)phenol
CID 144527261
4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2,3-dimethylbutan-2-yl)phenol
CID 89409725
4-tert-butyl-2-[[(1S,2S)-2-[[5-tert-butyl-3-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-[2,6-di(propan-2-yl)phenyl]phenol
CID 130177312
4-tert-butyl-2-[[2-[[5-tert-butyl-3-(2,6-dimethylphenoxy)-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-(2,6-dimethylphenoxy)phenol
CID 90442375
1-tert-butyl-2-(cyclohexylsulfanylmethyl)benzene
CID 58982627
bis(4-tert-butyl-2-[[(2S)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol);4-tert-butyl-2-[[(2S)-2-[[5-tert-butyl-2-hydroxy-3-(1-phenylcyclohexyl)phenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-(1-phenylcyclohexyl)phenol
CID 159377154
4-tert-butyl-2-[[(1S,2S)-2-[(5-tert-butyl-2-hydroxy-3-isoindol-2-ylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-isoindol-2-ylphenol
CID 71262712
4-tert-butyl-2-[[2-[[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenoxy)phenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-(2,4,6-trimethylphenoxy)phenol
CID 78056285

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol?
The IUPAC name of 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol (CID 71261043) is 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol?
The canonical SMILES for 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol is Cc1ccccc1-c1cc(C(C)(C)C)cc(CSC2CCCCCCC2)c1O.
What is the InChIKey of 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol?
The InChIKey is DDUKMEOEYQVWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36OS/c1-19-12-10-11-15-23(19)24-17-21(26(2,3)4)16-20(25(24)27)18-28-22-13-8-6-5-7-9-14-22/h10-12,15-17,22,27H,5-9,13-14,18H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol?
4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol has a molecular weight of 396.64 g/mol, XLogP of 8.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol is sourced from PubChem (CID 71261043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).