trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol

C11H12BrClO2 — CID 102735425

IUPACtrans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C11H12BrClO2/c12-8-6-7(13)4-5-10(8)15-11-3-1-2-9(11)14/h4-6,9,11,14H,1-3H2/t9-,11-/m0/s1
InChIKeyJTUGYOQUJJLVOH-ONGXEEELSA-N
MW291.57 g/mol
LogP3.39
Rot. Bonds2

About trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol

trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol (PubChem CID 102735425) has the molecular formula C11H12BrClO2 and a molecular weight of 291.57 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
PubChem CID102735425
Molecular FormulaC11H12BrClO2
Molecular Weight291.57 g/mol
Exact Mass289.97
IUPAC Nametrans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C11H12BrClO2/c12-8-6-7(13)4-5-10(8)15-11-3-1-2-9(11)14/h4-6,9,11,14H,1-3H2/t9-,11-/m0/s1
InChIKeyJTUGYOQUJJLVOH-ONGXEEELSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
2-(2-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 60712151
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 63050614
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151
4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile
CID 113277308
2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215
4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 113277283

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol (CID 102735425) is trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Oc1ccc(Cl)cc1Br.
What is the InChIKey of trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol?
The InChIKey is JTUGYOQUJJLVOH-ONGXEEELSA-N. The full InChI is InChI=1S/C11H12BrClO2/c12-8-6-7(13)4-5-10(8)15-11-3-1-2-9(11)14/h4-6,9,11,14H,1-3H2/t9-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol has a molecular weight of 291.57 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).