trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol

C14H20O2S — CID 101030165

IUPACtrans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol
SMILESO=S(c1ccccc1)[C@@H]1CCCCCC[C@H]1O
InChIInChI=1S/C14H20O2S/c15-13-10-6-1-2-7-11-14(13)17(16)12-8-4-3-5-9-12/h3-5,8-9,13-15H,1-2,6-7,10-11H2/t13-,14-,17?/m1/s1
InChIKeyIFPBVBCTIQFPTD-LJNCCCJHSA-N
MW252.38 g/mol
LogP2.88
Rot. Bonds2

About trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol

trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol (PubChem CID 101030165) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol
PubChem CID101030165
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Nametrans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol
SMILESO=S(c1ccccc1)[C@@H]1CCCCCC[C@H]1O
InChIInChI=1S/C14H20O2S/c15-13-10-6-1-2-7-11-14(13)17(16)12-8-4-3-5-9-12/h3-5,8-9,13-15H,1-2,6-7,10-11H2/t13-,14-,17?/m1/s1
InChIKeyIFPBVBCTIQFPTD-LJNCCCJHSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(benzenesulfinyl)cycloheptan-1-ol
CID 101030162
2-(2-fluorophenyl)sulfinylcyclohexan-1-ol
CID 64717103
(2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol
CID 15311210
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
2-(benzenesulfinyl)-1-methylcyclohexan-1-ol
CID 10776334
3-(benzenesulfinyl)-2-methylcyclopentan-1-one
CID 64909171
5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine
CID 79862819
(1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol
CID 10922113
[chloro(cyclohexyl)methyl]sulfinylbenzene
CID 11817724
2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene
CID 132573868
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
4-(benzenesulfinyl)tetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 13024382

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol (CID 101030165) is trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol is O=S(c1ccccc1)[C@@H]1CCCCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol?
The InChIKey is IFPBVBCTIQFPTD-LJNCCCJHSA-N. The full InChI is InChI=1S/C14H20O2S/c15-13-10-6-1-2-7-11-14(13)17(16)12-8-4-3-5-9-12/h3-5,8-9,13-15H,1-2,6-7,10-11H2/t13-,14-,17?/m1/s1.
What are the key properties of trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol?
trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol has a molecular weight of 252.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol is sourced from PubChem (CID 101030165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).