(1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol

C9H15BrO — CID 124925363

IUPAC(1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol
SMILESO[C@@H]1CC[C@H]2C[C@@H](CBr)[C@H]1C2
InChIInChI=1S/C9H15BrO/c10-5-7-3-6-1-2-9(11)8(7)4-6/h6-9,11H,1-5H2/t6-,7-,8+,9+/m0/s1
InChIKeyZGZKEENVMYNWHQ-RBXMUDONSA-N
MW219.12 g/mol
LogP2.18
Rot. Bonds1

About (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol

(1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol (PubChem CID 124925363) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol
PubChem CID124925363
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name(1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol
SMILESO[C@@H]1CC[C@H]2C[C@@H](CBr)[C@H]1C2
InChIInChI=1S/C9H15BrO/c10-5-7-3-6-1-2-9(11)8(7)4-6/h6-9,11H,1-5H2/t6-,7-,8+,9+/m0/s1
InChIKeyZGZKEENVMYNWHQ-RBXMUDONSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.18
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

(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792617
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
(1S,2S,4S,6R)-6-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792026
(1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile
CID 11859739
(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol
CID 139094019
(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 18390289
(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 124771553
2-(bromomethyl)bicyclo[2.1.1]hexane
CID 155821569
(1S)-1,2-bis(bromomethyl)cyclopropane
CID 90178479
1,2,4,5-tetrakis(bromomethyl)cyclohexane
CID 126505487
bicyclo[2.2.1]heptan-2-ol;ethane
CID 143739215
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol (CID 124925363) is (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol is O[C@@H]1CC[C@H]2C[C@@H](CBr)[C@H]1C2.
What is the InChIKey of (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol?
The InChIKey is ZGZKEENVMYNWHQ-RBXMUDONSA-N. The full InChI is InChI=1S/C9H15BrO/c10-5-7-3-6-1-2-9(11)8(7)4-6/h6-9,11H,1-5H2/t6-,7-,8+,9+/m0/s1.
What are the key properties of (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol?
(1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol has a molecular weight of 219.12 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 124925363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).