(4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium

C24H25O2S+ — CID 58820907

IUPAC(4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium
SMILESOc1ccc([S+](c2ccc(O)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H24O2S/c25-20-8-14-23(15-9-20)27(24-16-10-21(26)11-17-24)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-18H,1-5H2,(H-,25,26)/p+1
InChIKeyADEPHCMFBRNIEK-UHFFFAOYSA-O
MW377.53 g/mol
LogP6.24
Rot. Bonds4

About (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium

(4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium (PubChem CID 58820907) has the molecular formula C24H25O2S+ and a molecular weight of 377.53 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium
PubChem CID58820907
Molecular FormulaC24H25O2S+
Molecular Weight377.53 g/mol
Exact Mass377.16
IUPAC Name(4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium
SMILESOc1ccc([S+](c2ccc(O)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H24O2S/c25-20-8-14-23(15-9-20)27(24-16-10-21(26)11-17-24)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-18H,1-5H2,(H-,25,26)/p+1
InChIKeyADEPHCMFBRNIEK-UHFFFAOYSA-O
XLogP6.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium 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

bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
CID 166005175
butanoate;tris(4-cyclohexylphenyl)sulfanium
CID 159058551
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
(2-carboxyphenyl)-bis(4-cyclohexylphenyl)sulfanium
CID 140938572
6-cyclohexylnaphthalen-2-ol
CID 22497902
cyclohexyl-(4-hydroxyphenyl)-methylsulfanium
CID 58085534
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
CID 174733331
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
4-[(1R,4S)-4-(hydroxymethyl)cycloheptyl]phenol
CID 73057394
(4-cyclohexylphenyl)-[4-[3-iodo-2-(iodomethyl)propanoyl]oxyphenyl]-phenylsulfanium
CID 156683838
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium?
The IUPAC name of (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium (CID 58820907) is (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium.
What is the SMILES notation for (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium?
The canonical SMILES for (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium is Oc1ccc([S+](c2ccc(O)cc2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium?
The InChIKey is ADEPHCMFBRNIEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24O2S/c25-20-8-14-23(15-9-20)27(24-16-10-21(26)11-17-24)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-18H,1-5H2,(H-,25,26)/p+1.
What are the key properties of (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium?
(4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium has a molecular weight of 377.53 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium is sourced from PubChem (CID 58820907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).