trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol

C11H13BrO2 — CID 102735405

IUPACtrans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Oc1cccc(Br)c1
InChIInChI=1S/C11H13BrO2/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,10-11,13H,2,5-6H2/t10-,11-/m1/s1
InChIKeyMLZIKNLLXGKJHF-GHMZBOCLSA-N
MW257.13 g/mol
LogP2.74
Rot. Bonds2

About trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol

trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol (PubChem CID 102735405) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
PubChem CID102735405
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Nametrans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Oc1cccc(Br)c1
InChIInChI=1S/C11H13BrO2/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,10-11,13H,2,5-6H2/t10-,11-/m1/s1
InChIKeyMLZIKNLLXGKJHF-GHMZBOCLSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol
CID 102732469
2-(3-chlorophenoxy)cyclohexan-1-ol
CID 60880666
2-[3-(dimethylamino)phenoxy]cyclopentan-1-ol
CID 61229092
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
CID 102735545
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151
2-(3-nitrophenoxy)cyclopentan-1-ol
CID 60878979
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
2-phenoxycyclooctan-1-ol
CID 22247671

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol (CID 102735405) is trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Oc1cccc(Br)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol?
The InChIKey is MLZIKNLLXGKJHF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H13BrO2/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,10-11,13H,2,5-6H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol has a molecular weight of 257.13 g/mol, XLogP of 2.74, 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-(3-bromophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).