4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol

C26H38O2S — CID 71344374

IUPAC4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1cc(Sc2cc(C(C)(C)CCC)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C26H38O2S/c1-9-11-25(5,6)19-15-23(17(3)13-21(19)27)29-24-16-20(22(28)14-18(24)4)26(7,8)12-10-2/h13-16,27-28H,9-12H2,1-8H3
InChIKeyHZSRMZQFJCTEGQ-UHFFFAOYSA-N
MW414.66 g/mol
LogP8.02
Rot. Bonds8

About 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol

4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol (PubChem CID 71344374) has the molecular formula C26H38O2S and a molecular weight of 414.66 g/mol. Its IUPAC name is 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol
PubChem CID71344374
Molecular FormulaC26H38O2S
Molecular Weight414.66 g/mol
Exact Mass414.26
IUPAC Name4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1cc(Sc2cc(C(C)(C)CCC)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C26H38O2S/c1-9-11-25(5,6)19-15-23(17(3)13-21(19)27)29-24-16-20(22(28)14-18(24)4)26(7,8)12-10-2/h13-16,27-28H,9-12H2,1-8H3
InChIKeyHZSRMZQFJCTEGQ-UHFFFAOYSA-N
XLogP8.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.66
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol?
The IUPAC name of 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol (CID 71344374) is 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol.
What is the SMILES notation for 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol?
The canonical SMILES for 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol is CCCC(C)(C)c1cc(Sc2cc(C(C)(C)CCC)c(O)cc2C)c(C)cc1O.
What is the InChIKey of 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol?
The InChIKey is HZSRMZQFJCTEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2S/c1-9-11-25(5,6)19-15-23(17(3)13-21(19)27)29-24-16-20(22(28)14-18(24)4)26(7,8)12-10-2/h13-16,27-28H,9-12H2,1-8H3.
What are the key properties of 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol?
4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol has a molecular weight of 414.66 g/mol, XLogP of 8.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol is sourced from PubChem (CID 71344374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).