3-bromobicyclo[3.2.1]oct-3-en-2-ol

C8H11BrO — CID 14292143

IUPAC3-bromobicyclo[3.2.1]oct-3-en-2-ol
SMILESOC1C(Br)=CC2CCC1C2
InChIInChI=1S/C8H11BrO/c9-7-4-5-1-2-6(3-5)8(7)10/h4-6,8,10H,1-3H2
InChIKeyDPZZTZLILXNWSC-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.06
Rot. Bonds

About 3-bromobicyclo[3.2.1]oct-3-en-2-ol

3-bromobicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 14292143) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is 3-bromobicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name3-bromobicyclo[3.2.1]oct-3-en-2-ol
PubChem CID14292143
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name3-bromobicyclo[3.2.1]oct-3-en-2-ol
SMILESOC1C(Br)=CC2CCC1C2
InChIInChI=1S/C8H11BrO/c9-7-4-5-1-2-6(3-5)8(7)10/h4-6,8,10H,1-3H2
InChIKeyDPZZTZLILXNWSC-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,5R)-3-chlorobicyclo[3.2.1]oct-3-en-2-ol
CID 10441949
2-bromobicyclo[2.2.2]oct-2-ene
CID 10867078
(1R,2S,3R,4S)-5-bromocyclohex-5-ene-1,2,3,4-tetrol
CID 15318263
2-bromobicyclo[3.2.0]heptan-3-ol
CID 13087128
(1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one
CID 10887906
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
(1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol
CID 139089608
bicyclo[2.2.2]oct-2-ene
CID 13608
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
(1R,2R,5R)-bicyclo[3.1.0]hexan-2-ol
CID 124541760
(2S,3S)-2,3-dibromobicyclo[2.2.1]heptane
CID 102417955
(3R,4R,6S)-1,3,4,6-tetrabromocyclohexene
CID 14926706

Frequently Asked Questions

What is the IUPAC name of 3-bromobicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of 3-bromobicyclo[3.2.1]oct-3-en-2-ol (CID 14292143) is 3-bromobicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for 3-bromobicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for 3-bromobicyclo[3.2.1]oct-3-en-2-ol is OC1C(Br)=CC2CCC1C2.
What is the InChIKey of 3-bromobicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is DPZZTZLILXNWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO/c9-7-4-5-1-2-6(3-5)8(7)10/h4-6,8,10H,1-3H2.
What are the key properties of 3-bromobicyclo[3.2.1]oct-3-en-2-ol?
3-bromobicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 203.08 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 14292143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).