2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol

C24H34O2S — CID 87160979

IUPAC2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol
SMILESCCCCc1cc(CSCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C)c1O
InChIInChI=1S/C24H34O2S/c1-7-8-9-20-12-18(10-16(2)22(20)25)14-27-15-19-11-17(3)23(26)21(13-19)24(4,5)6/h10-13,25-26H,7-9,14-15H2,1-6H3
InChIKeyVEARDZKPOSGVJV-UHFFFAOYSA-N
MW386.60 g/mol
LogP6.79
Rot. Bonds7

About 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol

2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol (PubChem CID 87160979) has the molecular formula C24H34O2S and a molecular weight of 386.60 g/mol. Its IUPAC name is 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol.

Molecular Properties

Compound Name2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol
PubChem CID87160979
Molecular FormulaC24H34O2S
Molecular Weight386.60 g/mol
Exact Mass386.23
IUPAC Name2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol
SMILESCCCCc1cc(CSCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C)c1O
InChIInChI=1S/C24H34O2S/c1-7-8-9-20-12-18(10-16(2)22(20)25)14-27-15-19-11-17(3)23(26)21(13-19)24(4,5)6/h10-13,25-26H,7-9,14-15H2,1-6H3
InChIKeyVEARDZKPOSGVJV-UHFFFAOYSA-N
XLogP6.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4,6-bis(octadecylsulfanylmethyl)phenol
CID 22065486
2-tert-butyl-6-methyl-4-(3-octadecylsulfanylpropyl)phenol
CID 21437807
2-tert-butyl-4,6-bis(2-octylsulfanylethyl)phenol
CID 155191739
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
2,4-bis(decylsulfanylmethyl)-6-methylphenol;2-methyl-4,6-bis(nonylsulfanylmethyl)phenol
CID 89120375
4-butyl-2,6-ditert-butylphenol
CID 158079570
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2-tert-butyl-4-(hexadecoxymethyl)-6-methylphenol
CID 87421552
4-[3-[3,5-bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]-2,4,6-trimethylphenyl]propyl]-2-tert-butyl-6-methylphenol
CID 139646403
2,6-ditert-butyl-4-[[2,4,6-tributyl-3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 137459723
2-tert-butyl-6-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942
2-butyl-4-(3-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol
CID 22325369

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol?
The IUPAC name of 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol (CID 87160979) is 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol.
What is the SMILES notation for 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol?
The canonical SMILES for 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol is CCCCc1cc(CSCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C)c1O.
What is the InChIKey of 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol?
The InChIKey is VEARDZKPOSGVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2S/c1-7-8-9-20-12-18(10-16(2)22(20)25)14-27-15-19-11-17(3)23(26)21(13-19)24(4,5)6/h10-13,25-26H,7-9,14-15H2,1-6H3.
What are the key properties of 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol?
2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol has a molecular weight of 386.60 g/mol, XLogP of 6.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol is sourced from PubChem (CID 87160979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).