4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol

C26H34O4S2 — CID 71319383

IUPAC4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol
SMILESOCc1cc(C2CCCCC2)cc(SSc2cc(C3CCCCC3)cc(CO)c2O)c1O
InChIInChI=1S/C26H34O4S2/c27-15-21-11-19(17-7-3-1-4-8-17)13-23(25(21)29)31-32-24-14-20(12-22(16-28)26(24)30)18-9-5-2-6-10-18/h11-14,17-18,27-30H,1-10,15-16H2
InChIKeyFSQZLMLGEGYUSC-UHFFFAOYSA-N
MW474.69 g/mol
LogP6.98
Rot. Bonds7

About 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol

4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol (PubChem CID 71319383) has the molecular formula C26H34O4S2 and a molecular weight of 474.69 g/mol. Its IUPAC name is 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol
PubChem CID71319383
Molecular FormulaC26H34O4S2
Molecular Weight474.69 g/mol
Exact Mass474.19
IUPAC Name4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol
SMILESOCc1cc(C2CCCCC2)cc(SSc2cc(C3CCCCC3)cc(CO)c2O)c1O
InChIInChI=1S/C26H34O4S2/c27-15-21-11-19(17-7-3-1-4-8-17)13-23(25(21)29)31-32-24-14-20(12-22(16-28)26(24)30)18-9-5-2-6-10-18/h11-14,17-18,27-30H,1-10,15-16H2
InChIKeyFSQZLMLGEGYUSC-UHFFFAOYSA-N
XLogP6.98
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.69
LogP ≤ 56.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-tricyclopentylbenzene
CID 611596
4-cyclooctyl-2,6-difluorophenol
CID 151133055
2,6-diamino-4-cyclohexylphenol
CID 12501819
2-(aminomethyl)-6-chloro-4-cyclohexylphenol;hydrochloride
CID 45259791
2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol
CID 170868491
(2-amino-5-cyclopentyl-3-pyridinyl)methanol
CID 115019155
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol
CID 70614132
1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone
CID 23516450
2-amino-4,6-dicyclohexylphenol
CID 139812455
(3-cycloheptylphenyl)methanol
CID 84672634
2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol
CID 170865474

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol?
The IUPAC name of 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol (CID 71319383) is 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol.
What is the SMILES notation for 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol?
The canonical SMILES for 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol is OCc1cc(C2CCCCC2)cc(SSc2cc(C3CCCCC3)cc(CO)c2O)c1O.
What is the InChIKey of 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol?
The InChIKey is FSQZLMLGEGYUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4S2/c27-15-21-11-19(17-7-3-1-4-8-17)13-23(25(21)29)31-32-24-14-20(12-22(16-28)26(24)30)18-9-5-2-6-10-18/h11-14,17-18,27-30H,1-10,15-16H2.
What are the key properties of 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol?
4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol has a molecular weight of 474.69 g/mol, XLogP of 6.98, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol is sourced from PubChem (CID 71319383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).