trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol

C11H14OS — CID 12791403

IUPACtrans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol
SMILESCc1ccc(S[C@@H]2CC[C@H]2O)cc1
InChIInChI=1S/C11H14OS/c1-8-2-4-9(5-3-8)13-11-7-6-10(11)12/h2-5,10-12H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyLUJQARMTYDVJJD-GHMZBOCLSA-N
MW194.30 g/mol
LogP2.61
Rot. Bonds2

About trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol

trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol (PubChem CID 12791403) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol
PubChem CID12791403
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Nametrans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol
SMILESCc1ccc(S[C@@H]2CC[C@H]2O)cc1
InChIInChI=1S/C11H14OS/c1-8-2-4-9(5-3-8)13-11-7-6-10(11)12/h2-5,10-12H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyLUJQARMTYDVJJD-GHMZBOCLSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
CID 115623
4-[(4-Methylphenyl)sulfonyl]tetrahydro-3-thiopheneol 1,1-dioxide
CID 2829781
1,2-Propanediol, 3-(o-tolylthio)-
CID 115624
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
2-m-Tolylsulfanyl-ethanol
CID 2760020
(2S,4S)-2-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)-3,4-dihydrothiopyran-4-ol
CID 154712337
(2S,4R)-2-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)-3,4-dihydrothiopyran-4-ol
CID 154712784
3-(Benzylsulfanyl)propan-1-ol
CID 346012
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol (CID 12791403) is trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol is Cc1ccc(S[C@@H]2CC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol?
The InChIKey is LUJQARMTYDVJJD-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-2-4-9(5-3-8)13-11-7-6-10(11)12/h2-5,10-12H,6-7H2,1H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol?
trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol has a molecular weight of 194.30 g/mol, XLogP of 2.61, 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-(4-methylphenyl)sulfanylcyclobutan-1-ol is sourced from PubChem (CID 12791403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).