trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol

C12H15BrO2 — CID 67195201

IUPACtrans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-/m0/s1
InChIKeyNWARWJMTQXOKHG-RYUDHWBXSA-N
MW271.15 g/mol
LogP3.13
Rot. Bonds2

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

trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol (PubChem CID 67195201) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
PubChem CID67195201
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Nametrans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-/m0/s1
InChIKeyNWARWJMTQXOKHG-RYUDHWBXSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenoxycyclooctan-1-ol
CID 22247671
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
trans-(1S,2S)-2-(4-bromo-3-methylphenoxy)cyclohexan-1-ol
CID 102732682
cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
CID 67193636
1-bromo-4-cyclopentyloxybenzene
CID 22599958
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
CID 102732659
trans-(1R,2R)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
CID 102732660

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol (CID 67195201) is trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol?
The InChIKey is NWARWJMTQXOKHG-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol?
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol has a molecular weight of 271.15 g/mol, XLogP of 3.13, 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-bromophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 67195201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).