2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol

C29H28O4S2 — CID 14899408

IUPAC2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
SMILESCc1ccc(O)c(Sc2cc(C)cc(Cc3cc(C)cc(Sc4cc(C)ccc4O)c3O)c2O)c1
InChIInChI=1S/C29H28O4S2/c1-16-5-7-22(30)24(11-16)34-26-13-18(3)9-20(28(26)32)15-21-10-19(4)14-27(29(21)33)35-25-12-17(2)6-8-23(25)31/h5-14,30-33H,15H2,1-4H3
InChIKeyHZYSXPOXNLPBKA-UHFFFAOYSA-N
MW504.67 g/mol
LogP7.64
Rot. Bonds6

About 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol

2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol (PubChem CID 14899408) has the molecular formula C29H28O4S2 and a molecular weight of 504.67 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
PubChem CID14899408
Molecular FormulaC29H28O4S2
Molecular Weight504.67 g/mol
Exact Mass504.14
IUPAC Name2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
SMILESCc1ccc(O)c(Sc2cc(C)cc(Cc3cc(C)cc(Sc4cc(C)ccc4O)c3O)c2O)c1
InChIInChI=1S/C29H28O4S2/c1-16-5-7-22(30)24(11-16)34-26-13-18(3)9-20(28(26)32)15-21-10-19(4)14-27(29(21)33)35-25-12-17(2)6-8-23(25)31/h5-14,30-33H,15H2,1-4H3
InChIKeyHZYSXPOXNLPBKA-UHFFFAOYSA-N
XLogP7.64
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 57.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol 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

2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol
CID 15574255
4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 18949647
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 143901407
2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol
CID 5099768

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
The IUPAC name of 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol (CID 14899408) is 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
The canonical SMILES for 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol is Cc1ccc(O)c(Sc2cc(C)cc(Cc3cc(C)cc(Sc4cc(C)ccc4O)c3O)c2O)c1.
What is the InChIKey of 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
The InChIKey is HZYSXPOXNLPBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4S2/c1-16-5-7-22(30)24(11-16)34-26-13-18(3)9-20(28(26)32)15-21-10-19(4)14-27(29(21)33)35-25-12-17(2)6-8-23(25)31/h5-14,30-33H,15H2,1-4H3.
What are the key properties of 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol has a molecular weight of 504.67 g/mol, XLogP of 7.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol is sourced from PubChem (CID 14899408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).