2-(benzenesulfinyl)-1-methylcyclohexan-1-ol

C13H18O2S — CID 10776334

IUPAC2-(benzenesulfinyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCCC1S(=O)c1ccccc1
InChIInChI=1S/C13H18O2S/c1-13(14)10-6-5-9-12(13)16(15)11-7-3-2-4-8-11/h2-4,7-8,12,14H,5-6,9-10H2,1H3
InChIKeyITOYMAFDTXQGID-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.49
Rot. Bonds2

About 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol

2-(benzenesulfinyl)-1-methylcyclohexan-1-ol (PubChem CID 10776334) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-methylcyclohexan-1-ol
PubChem CID10776334
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-(benzenesulfinyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCCC1S(=O)c1ccccc1
InChIInChI=1S/C13H18O2S/c1-13(14)10-6-5-9-12(13)16(15)11-7-3-2-4-8-11/h2-4,7-8,12,14H,5-6,9-10H2,1H3
InChIKeyITOYMAFDTXQGID-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2S)-1-(benzenesulfonylmethyl)-2-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 101086540
cis-(1S,2S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-[[(R)-(4-methylphenyl)sulfinyl]methyl]cyclohexan-1-ol
CID 11486112
trans-(1R,2R)-2-(benzenesulfinyl)cycloheptan-1-ol
CID 101030162
trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol
CID 101030165
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine
CID 79862819
(2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol
CID 15311210
3-(benzenesulfinyl)spiro[4.5]decane-4,10-dione
CID 11130039
[(S)-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-phenylmethyl]-trimethylazanium
CID 100919752
2-benzoyl-2-methylcyclohexane-1-carboxylic acid
CID 13054540
1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol
CID 71360128
cis-(1S,2S)-2-bromo-1-methylcyclohexan-1-ol
CID 129404972

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol?
The IUPAC name of 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol (CID 10776334) is 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol?
The canonical SMILES for 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol is CC1(O)CCCCC1S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol?
The InChIKey is ITOYMAFDTXQGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-13(14)10-6-5-9-12(13)16(15)11-7-3-2-4-8-11/h2-4,7-8,12,14H,5-6,9-10H2,1H3.
What are the key properties of 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol?
2-(benzenesulfinyl)-1-methylcyclohexan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 10776334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).