(1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol

C14H18O2S — CID 10911957

IUPAC(1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol
SMILESO=[S@@](c1ccccc1)[C@H]1C[C@@H]2CCCC[C@@]21O
InChIInChI=1S/C14H18O2S/c15-14-9-5-4-6-11(14)10-13(14)17(16)12-7-2-1-3-8-12/h1-3,7-8,11,13,15H,4-6,9-10H2/t11-,13-,14+,17-/m0/s1
InChIKeyIEIWUESKSMVEJR-DPYKFYPSSA-N
MW250.36 g/mol
LogP2.49
Rot. Bonds2

About (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol

(1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol (PubChem CID 10911957) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol.

Molecular Properties

Compound Name(1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol
PubChem CID10911957
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name(1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol
SMILESO=[S@@](c1ccccc1)[C@H]1C[C@@H]2CCCC[C@@]21O
InChIInChI=1S/C14H18O2S/c15-14-9-5-4-6-11(14)10-13(14)17(16)12-7-2-1-3-8-12/h1-3,7-8,11,13,15H,4-6,9-10H2/t11-,13-,14+,17-/m0/s1
InChIKeyIEIWUESKSMVEJR-DPYKFYPSSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
trans-(1R,2R)-1-(phenylsulfanylmethyl)-2-[(E)-3-phenylsulfanylprop-2-enyl]cyclohexan-1-ol
CID 135078825
2-Allyl-2-methyl-1-((phenylsulfinyl)methyl)cyclohexanol
CID 363790
2-Methyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol
CID 329395
(1R,6S,8S)-8-[(R)-(4-methylphenyl)sulfinyl]bicyclo[4.2.0]octan-1-ol
CID 11425564
2-(Benzenesulfonyl)-1-cyclohexylethanol
CID 12958387
1-[Benzenesulfonyl(phenylsulfanyl)methyl]-2-methylcyclohexan-1-ol
CID 13803250
1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol
CID 101088183
(1R,6S,8S)-8-(benzenesulfinyl)bicyclo[4.2.0]octan-1-ol
CID 101172794
(1R,6S,8R)-8-(4-methylphenyl)sulfonylbicyclo[4.2.0]octan-1-ol
CID 101348860
(1RS,2RS,6SR,8SR)-2-Methyl-8-(phenylsulfonyl)bicyclo[4.2.0]octan-1-ol
CID 102466198

Frequently Asked Questions

What is the IUPAC name of (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol?
The IUPAC name of (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol (CID 10911957) is (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol.
What is the SMILES notation for (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol?
The canonical SMILES for (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol is O=[S@@](c1ccccc1)[C@H]1C[C@@H]2CCCC[C@@]21O.
What is the InChIKey of (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol?
The InChIKey is IEIWUESKSMVEJR-DPYKFYPSSA-N. The full InChI is InChI=1S/C14H18O2S/c15-14-9-5-4-6-11(14)10-13(14)17(16)12-7-2-1-3-8-12/h1-3,7-8,11,13,15H,4-6,9-10H2/t11-,13-,14+,17-/m0/s1.
What are the key properties of (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol?
(1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol has a molecular weight of 250.36 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 (1R,6S,8S)-8-[(R)-phenylsulfinyl]bicyclo[4.2.0]octan-1-ol is sourced from PubChem (CID 10911957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).