(1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol

C12H14O2S — CID 10922113

IUPAC(1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol
SMILESO=[S@](C1=CCCC[C@H]1O)c1ccccc1
InChIInChI=1S/C12H14O2S/c13-11-8-4-5-9-12(11)15(14)10-6-2-1-3-7-10/h1-3,6-7,9,11,13H,4-5,8H2/t11-,15+/m1/s1
InChIKeyFONRDHITTVTBOQ-ABAIWWIYSA-N
MW222.31 g/mol
LogP2.22
Rot. Bonds2

About (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol

(1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol (PubChem CID 10922113) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol
PubChem CID10922113
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name(1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol
SMILESO=[S@](C1=CCCC[C@H]1O)c1ccccc1
InChIInChI=1S/C12H14O2S/c13-11-8-4-5-9-12(11)15(14)10-6-2-1-3-7-10/h1-3,6-7,9,11,13H,4-5,8H2/t11-,15+/m1/s1
InChIKeyFONRDHITTVTBOQ-ABAIWWIYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol?
The IUPAC name of (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol (CID 10922113) is (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol?
The canonical SMILES for (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol is O=[S@](C1=CCCC[C@H]1O)c1ccccc1.
What is the InChIKey of (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol?
The InChIKey is FONRDHITTVTBOQ-ABAIWWIYSA-N. The full InChI is InChI=1S/C12H14O2S/c13-11-8-4-5-9-12(11)15(14)10-6-2-1-3-7-10/h1-3,6-7,9,11,13H,4-5,8H2/t11-,15+/m1/s1.
What are the key properties of (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol?
(1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol has a molecular weight of 222.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 10922113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).