1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol

C19H28O2S — CID 15445550

IUPAC1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol
SMILESOC1(C(Sc2ccccc2)C2(O)CCCCC2)CCCCC1
InChIInChI=1S/C19H28O2S/c20-18(12-6-2-7-13-18)17(19(21)14-8-3-9-15-19)22-16-10-4-1-5-11-16/h1,4-5,10-11,17,20-21H,2-3,6-9,12-15H2
InChIKeyGVILAKGOALOHJH-UHFFFAOYSA-N
MW320.50 g/mol
LogP4.54
Rot. Bonds4

About 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol

1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol (PubChem CID 15445550) has the molecular formula C19H28O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol
PubChem CID15445550
Molecular FormulaC19H28O2S
Molecular Weight320.50 g/mol
Exact Mass320.18
IUPAC Name1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol
SMILESOC1(C(Sc2ccccc2)C2(O)CCCCC2)CCCCC1
InChIInChI=1S/C19H28O2S/c20-18(12-6-2-7-13-18)17(19(21)14-8-3-9-15-19)22-16-10-4-1-5-11-16/h1,4-5,10-11,17,20-21H,2-3,6-9,12-15H2
InChIKeyGVILAKGOALOHJH-UHFFFAOYSA-N
XLogP4.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-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-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-(Bis(phenylthio)methyl)cycloheptanol
CID 361771
4-Methyl-2,6-diphenylthian-4-ol
CID 4455365
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
2-Allyl-2-methyl-1-((phenylsulfinyl)methyl)cyclohexanol
CID 363790
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
2-Methyl-3-phenylsulfanylheptan-2-ol
CID 11160765
1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
Cyclohexanol, 1-[1,1-bis(phenylthio)propyl]-
CID 12299362
5-Phenylsulfanyl-1-oxaspiro[5.5]undecane
CID 15456622
(E)-4-(benzenesulfonyl)-3,9-dimethyl-1,11-diphenylundec-8-en-3-ol
CID 134981790
trans-(1R,2R)-1-(phenylsulfanylmethyl)-2-[(E)-3-phenylsulfanylprop-2-enyl]cyclohexan-1-ol
CID 135078825

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol (CID 15445550) is 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol is OC1(C(Sc2ccccc2)C2(O)CCCCC2)CCCCC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol?
The InChIKey is GVILAKGOALOHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2S/c20-18(12-6-2-7-13-18)17(19(21)14-8-3-9-15-19)22-16-10-4-1-5-11-16/h1,4-5,10-11,17,20-21H,2-3,6-9,12-15H2.
What are the key properties of 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol?
1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol has a molecular weight of 320.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 15445550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).