(2R)-2-bromo-3-cyclohexylpropan-1-ol

C9H17BrO — CID 135056962

IUPAC(2R)-2-bromo-3-cyclohexylpropan-1-ol
SMILESOC[C@H](Br)CC1CCCCC1
InChIInChI=1S/C9H17BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7H2/t9-/m1/s1
InChIKeyQALMWACVQIUYKE-SECBINFHSA-N
MW221.14 g/mol
LogP2.71
Rot. Bonds3

About (2R)-2-bromo-3-cyclohexylpropan-1-ol

(2R)-2-bromo-3-cyclohexylpropan-1-ol (PubChem CID 135056962) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is (2R)-2-bromo-3-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-bromo-3-cyclohexylpropan-1-ol
PubChem CID135056962
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name(2R)-2-bromo-3-cyclohexylpropan-1-ol
SMILESOC[C@H](Br)CC1CCCCC1
InChIInChI=1S/C9H17BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7H2/t9-/m1/s1
InChIKeyQALMWACVQIUYKE-SECBINFHSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dibromopropylcyclohexane
CID 118255100
2,4-dibromobutylcyclohexane
CID 118255145
(1-cyclohexyl-3-hydroxypropan-2-yl)azanium
CID 4068949
(2R)-3-cyclopentyl-2-fluoropropan-1-ol
CID 129375583
2-bromo-3-cyclohexyl-1-cyclopropylpropan-1-one
CID 86710020
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
(2R)-2-(cyclopentylmethyl)but-3-en-1-ol
CID 143882420
(2R,3S,4R)-2-bromo-1-cyclohexyl-5-methylhexane-3,4-diol
CID 10827545
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-3-cyclohexylpropan-1-ol?
The IUPAC name of (2R)-2-bromo-3-cyclohexylpropan-1-ol (CID 135056962) is (2R)-2-bromo-3-cyclohexylpropan-1-ol.
What is the SMILES notation for (2R)-2-bromo-3-cyclohexylpropan-1-ol?
The canonical SMILES for (2R)-2-bromo-3-cyclohexylpropan-1-ol is OC[C@H](Br)CC1CCCCC1.
What is the InChIKey of (2R)-2-bromo-3-cyclohexylpropan-1-ol?
The InChIKey is QALMWACVQIUYKE-SECBINFHSA-N. The full InChI is InChI=1S/C9H17BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7H2/t9-/m1/s1.
What are the key properties of (2R)-2-bromo-3-cyclohexylpropan-1-ol?
(2R)-2-bromo-3-cyclohexylpropan-1-ol has a molecular weight of 221.14 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-3-cyclohexylpropan-1-ol is sourced from PubChem (CID 135056962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).