trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol

C11H12Br2O2 — CID 102735528

IUPACtrans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2O2/c12-7-4-5-10(8(13)6-7)15-11-3-1-2-9(11)14/h4-6,9,11,14H,1-3H2/t9-,11-/m0/s1
InChIKeyAMEQGOZYVFPMKL-ONGXEEELSA-N
MW336.02 g/mol
LogP3.50
Rot. Bonds2

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

trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol (PubChem CID 102735528) has the molecular formula C11H12Br2O2 and a molecular weight of 336.02 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
PubChem CID102735528
Molecular FormulaC11H12Br2O2
Molecular Weight336.02 g/mol
Exact Mass333.92
IUPAC Nametrans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2O2/c12-7-4-5-10(8(13)6-7)15-11-3-1-2-9(11)14/h4-6,9,11,14H,1-3H2/t9-,11-/m0/s1
InChIKeyAMEQGOZYVFPMKL-ONGXEEELSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
CID 102735425
2-(2-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 60712151
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 63050614
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484
2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol
CID 60877742
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
CID 63367803
5-bromo-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 83145004
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
2-[4-bromo-2-(propylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60881988
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol
CID 62368559
3-(2,4-dibromophenoxy)cyclobutan-1-ol
CID 66346486

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol (CID 102735528) is trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Oc1ccc(Br)cc1Br.
What is the InChIKey of trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol?
The InChIKey is AMEQGOZYVFPMKL-ONGXEEELSA-N. The full InChI is InChI=1S/C11H12Br2O2/c12-7-4-5-10(8(13)6-7)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-(2,4-dibromophenoxy)cyclopentan-1-ol?
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol has a molecular weight of 336.02 g/mol, XLogP of 3.50, 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-(2,4-dibromophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).