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

C10H11ClOS — CID 12791405

IUPACtrans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClOS/c11-7-1-3-8(4-2-7)13-10-6-5-9(10)12/h1-4,9-10,12H,5-6H2/t9-,10-/m1/s1
InChIKeyCIROCVOMRWLMHQ-NXEZZACHSA-N
MW214.72 g/mol
LogP2.96
Rot. Bonds2

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

trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol (PubChem CID 12791405) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol
PubChem CID12791405
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Nametrans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClOS/c11-7-1-3-8(4-2-7)13-10-6-5-9(10)12/h1-4,9-10,12H,5-6H2/t9-,10-/m1/s1
InChIKeyCIROCVOMRWLMHQ-NXEZZACHSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol (CID 12791405) is trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol is O[C@@H]1CC[C@H]1Sc1ccc(Cl)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol?
The InChIKey is CIROCVOMRWLMHQ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H11ClOS/c11-7-1-3-8(4-2-7)13-10-6-5-9(10)12/h1-4,9-10,12H,5-6H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol?
trans-(1R,2R)-2-(4-chlorophenyl)sulfanylcyclobutan-1-ol has a molecular weight of 214.72 g/mol, XLogP of 2.96, 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-chlorophenyl)sulfanylcyclobutan-1-ol is sourced from PubChem (CID 12791405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).