[(1R,2R)-2-phenylsulfanylcyclobutyl]methanol

C11H14OS — CID 99864568

IUPAC[(1R,2R)-2-phenylsulfanylcyclobutyl]methanol
SMILESOC[C@H]1CC[C@H]1Sc1ccccc1
InChIInChI=1S/C11H14OS/c12-8-9-6-7-11(9)13-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2/t9-,11-/m1/s1
InChIKeyZRBNJKPLWOMSFM-MWLCHTKSSA-N
MW194.30 g/mol
LogP2.55
Rot. Bonds3

About [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol

[(1R,2R)-2-phenylsulfanylcyclobutyl]methanol (PubChem CID 99864568) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-phenylsulfanylcyclobutyl]methanol
PubChem CID99864568
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name[(1R,2R)-2-phenylsulfanylcyclobutyl]methanol
SMILESOC[C@H]1CC[C@H]1Sc1ccccc1
InChIInChI=1S/C11H14OS/c12-8-9-6-7-11(9)13-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2/t9-,11-/m1/s1
InChIKeyZRBNJKPLWOMSFM-MWLCHTKSSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
CID 43530146
trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine
CID 101053357
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
[2-(3-methylphenyl)sulfanylcyclopropyl]methanol
CID 130610527
(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
CID 43530144
trans-(1S,2R)-2-phenylsulfanylcyclopropane-1-carboxylic acid
CID 130835680
(2-methylcyclohexyl)sulfanylbenzene
CID 13479841
(2-chlorocyclohexyl)sulfanylbenzene
CID 12568364
ethyl (1S,2R,5R)-2-hydroxy-5-phenylsulfanylcyclopentane-1-carboxylate
CID 101038851
(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine
CID 10448310
(3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol
CID 139513589
2-nitro-3-phenylsulfanylcyclohexan-1-ol
CID 580564

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol?
The IUPAC name of [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol (CID 99864568) is [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol.
What is the SMILES notation for [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol?
The canonical SMILES for [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol is OC[C@H]1CC[C@H]1Sc1ccccc1.
What is the InChIKey of [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol?
The InChIKey is ZRBNJKPLWOMSFM-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H14OS/c12-8-9-6-7-11(9)13-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2/t9-,11-/m1/s1.
What are the key properties of [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol?
[(1R,2R)-2-phenylsulfanylcyclobutyl]methanol has a molecular weight of 194.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-phenylsulfanylcyclobutyl]methanol is sourced from PubChem (CID 99864568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).