1-bromobicyclo[3.1.0]hexan-2-ol

C6H9BrO — CID 24978264

IUPAC1-bromobicyclo[3.1.0]hexan-2-ol
SMILESOC1CCC2CC12Br
InChIInChI=1S/C6H9BrO/c7-6-3-4(6)1-2-5(6)8/h4-5,8H,1-3H2
InChIKeySWPRQLSHSXKLSH-UHFFFAOYSA-N
MW177.04 g/mol
LogP1.29
Rot. Bonds

About 1-bromobicyclo[3.1.0]hexan-2-ol

1-bromobicyclo[3.1.0]hexan-2-ol (PubChem CID 24978264) has the molecular formula C6H9BrO and a molecular weight of 177.04 g/mol. Its IUPAC name is 1-bromobicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name1-bromobicyclo[3.1.0]hexan-2-ol
PubChem CID24978264
Molecular FormulaC6H9BrO
Molecular Weight177.04 g/mol
Exact Mass175.98
IUPAC Name1-bromobicyclo[3.1.0]hexan-2-ol
SMILESOC1CCC2CC12Br
InChIInChI=1S/C6H9BrO/c7-6-3-4(6)1-2-5(6)8/h4-5,8H,1-3H2
InChIKeySWPRQLSHSXKLSH-UHFFFAOYSA-N
XLogP1.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 51.29
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

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bicyclo[2.1.0]pentane-1,2-diol
CID 66908038
2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane
CID 12649566
1-pentylbicyclo[3.1.0]hexan-2-ol
CID 69469372
2-bromo-1,1-dicyclopropylcyclopropane
CID 12542072
5-cyclopropyl-5-methylpyrrolidin-3-ol
CID 115011451
2,2-dichlorocyclopropan-1-ol
CID 13351707
1-cyclopropylbicyclo[1.1.0]butane
CID 123925920
(1'S,3'aR,7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
CID 11183452
[(3R,5S,17R)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]azanium chloride
CID 44658087
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 3950309

Frequently Asked Questions

What is the IUPAC name of 1-bromobicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 1-bromobicyclo[3.1.0]hexan-2-ol (CID 24978264) is 1-bromobicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 1-bromobicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 1-bromobicyclo[3.1.0]hexan-2-ol is OC1CCC2CC12Br.
What is the InChIKey of 1-bromobicyclo[3.1.0]hexan-2-ol?
The InChIKey is SWPRQLSHSXKLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO/c7-6-3-4(6)1-2-5(6)8/h4-5,8H,1-3H2.
What are the key properties of 1-bromobicyclo[3.1.0]hexan-2-ol?
1-bromobicyclo[3.1.0]hexan-2-ol has a molecular weight of 177.04 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromobicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 24978264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).