(Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol

C25H40OS — CID 134934344

IUPAC(Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol
SMILESCCCCCCCCCC/C=C(\Sc1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C25H40OS/c1-2-3-4-5-6-7-8-9-16-21-24(27-23-19-14-11-15-20-23)25(26)22-17-12-10-13-18-22/h11,14-15,19-22,25-26H,2-10,12-13,16-18H2,1H3/b24-21-
InChIKeyMUZQJNHZNXNUPG-FLFQWRMESA-N
MW388.66 g/mol
LogP8.13
Rot. Bonds13

About (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol

(Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol (PubChem CID 134934344) has the molecular formula C25H40OS and a molecular weight of 388.66 g/mol. Its IUPAC name is (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol
PubChem CID134934344
Molecular FormulaC25H40OS
Molecular Weight388.66 g/mol
Exact Mass388.28
IUPAC Name(Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol
SMILESCCCCCCCCCC/C=C(\Sc1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C25H40OS/c1-2-3-4-5-6-7-8-9-16-21-24(27-23-19-14-11-15-20-23)25(26)22-17-12-10-13-18-22/h11,14-15,19-22,25-26H,2-10,12-13,16-18H2,1H3/b24-21-
InChIKeyMUZQJNHZNXNUPG-FLFQWRMESA-N
XLogP8.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.66
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol 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

1-(4-Phenylsulfanylphenyl)ethanol
CID 238613
1-Phenyl-3-(phenylthio)propan-1-ol
CID 12488334
(1R)-1-phenyl-3-phenylsulfanylpropan-1-ol
CID 93514489
(1R)-1-[4-(phenylsulfanyl)phenyl]ethan-1-ol
CID 63812905
(1S)-1-(4-(phenylsulfanyl)phenyl)ethan-1-ol
CID 78951886
2,2-Dimethyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10912935
1-(1-Phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10956055
1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
2-Methyl-2-phenylsulfanylheptan-3-ol
CID 11356852
1-Phenyl-2-phenylsulfanylprop-2-en-1-ol
CID 12462460
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
2,5-Dimethyl-4,4-bis(phenylsulfanyl)hexan-3-ol
CID 13452344

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol?
The IUPAC name of (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol (CID 134934344) is (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol.
What is the SMILES notation for (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol?
The canonical SMILES for (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol is CCCCCCCCCC/C=C(\Sc1ccccc1)C(O)C1CCCCC1.
What is the InChIKey of (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol?
The InChIKey is MUZQJNHZNXNUPG-FLFQWRMESA-N. The full InChI is InChI=1S/C25H40OS/c1-2-3-4-5-6-7-8-9-16-21-24(27-23-19-14-11-15-20-23)25(26)22-17-12-10-13-18-22/h11,14-15,19-22,25-26H,2-10,12-13,16-18H2,1H3/b24-21-.
What are the key properties of (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol?
(Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol has a molecular weight of 388.66 g/mol, XLogP of 8.13, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexyl-2-phenylsulfanyltridec-2-en-1-ol is sourced from PubChem (CID 134934344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).