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

C12H14BrClO2 — CID 102732484

IUPACtrans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClO2/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h5-7,10,12,15H,1-4H2/t10-,12-/m0/s1
InChIKeyVUGFLEZHQTUPLZ-JQWIXIFHSA-N
MW305.60 g/mol
LogP3.78
Rot. Bonds2

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

trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol (PubChem CID 102732484) has the molecular formula C12H14BrClO2 and a molecular weight of 305.60 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
PubChem CID102732484
Molecular FormulaC12H14BrClO2
Molecular Weight305.60 g/mol
Exact Mass303.99
IUPAC Nametrans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClO2/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h5-7,10,12,15H,1-4H2/t10-,12-/m0/s1
InChIKeyVUGFLEZHQTUPLZ-JQWIXIFHSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
CID 60728681
5-bromo-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 83145004
trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
CID 102735425
2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol
CID 60877742
2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 60877836
trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 102735372
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol
CID 62368559
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
CID 63367803
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol (CID 102732484) is trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol?
The InChIKey is VUGFLEZHQTUPLZ-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H14BrClO2/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h5-7,10,12,15H,1-4H2/t10-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol?
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol has a molecular weight of 305.60 g/mol, XLogP of 3.78, 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-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 102732484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).