1-(1-phenylsulfanylethyl)cyclohexan-1-ol

C14H20OS — CID 11736509

IUPAC1-(1-phenylsulfanylethyl)cyclohexan-1-ol
SMILESCC(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H20OS/c1-12(14(15)10-6-3-7-11-14)16-13-8-4-2-5-9-13/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKeyANNTWOZRFUMFMD-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.86
Rot. Bonds3

About 1-(1-phenylsulfanylethyl)cyclohexan-1-ol

1-(1-phenylsulfanylethyl)cyclohexan-1-ol (PubChem CID 11736509) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(1-phenylsulfanylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-phenylsulfanylethyl)cyclohexan-1-ol
PubChem CID11736509
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name1-(1-phenylsulfanylethyl)cyclohexan-1-ol
SMILESCC(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H20OS/c1-12(14(15)10-6-3-7-11-14)16-13-8-4-2-5-9-13/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKeyANNTWOZRFUMFMD-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-(Bis(phenylthio)methyl)cycloheptanol
CID 361771
4-Methyl-2,6-diphenylthian-4-ol
CID 4455365
2-Phenyl-2-phenylthioethanol
CID 11264720
1-(Phenylsulfanyl)-2-octanol
CID 11276474
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclohexan-1-ol
CID 12922227
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
2-Allyl-2-methyl-1-((phenylsulfinyl)methyl)cyclohexanol
CID 363790
4-Fluoro-2-methyl-3-phenylsulfanylbutan-2-ol
CID 13596561
3,7-Dimethyl-5-(phenylthio)octa-1,6-dien-3-ol
CID 551454

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-phenylsulfanylethyl)cyclohexan-1-ol (CID 11736509) is 1-(1-phenylsulfanylethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-phenylsulfanylethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-phenylsulfanylethyl)cyclohexan-1-ol is CC(Sc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-(1-phenylsulfanylethyl)cyclohexan-1-ol?
The InChIKey is ANNTWOZRFUMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-12(14(15)10-6-3-7-11-14)16-13-8-4-2-5-9-13/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3.
What are the key properties of 1-(1-phenylsulfanylethyl)cyclohexan-1-ol?
1-(1-phenylsulfanylethyl)cyclohexan-1-ol has a molecular weight of 236.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanylethyl)cyclohexan-1-ol is sourced from PubChem (CID 11736509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).