2-(2-bromocyclohex-2-en-1-yl)ethanol

C8H13BrO — CID 11769633

IUPAC2-(2-bromocyclohex-2-en-1-yl)ethanol
SMILESOCCC1CCCC=C1Br
InChIInChI=1S/C8H13BrO/c9-8-4-2-1-3-7(8)5-6-10/h4,7,10H,1-3,5-6H2
InChIKeyLFEKIROZUVSKMA-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-bromocyclohex-2-en-1-yl)ethanol

2-(2-bromocyclohex-2-en-1-yl)ethanol (PubChem CID 11769633) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is 2-(2-bromocyclohex-2-en-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromocyclohex-2-en-1-yl)ethanol
PubChem CID11769633
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name2-(2-bromocyclohex-2-en-1-yl)ethanol
SMILESOCCC1CCCC=C1Br
InChIInChI=1S/C8H13BrO/c9-8-4-2-1-3-7(8)5-6-10/h4,7,10H,1-3,5-6H2
InChIKeyLFEKIROZUVSKMA-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocyclohex-2-en-1-yl)ethanol?
The IUPAC name of 2-(2-bromocyclohex-2-en-1-yl)ethanol (CID 11769633) is 2-(2-bromocyclohex-2-en-1-yl)ethanol.
What is the SMILES notation for 2-(2-bromocyclohex-2-en-1-yl)ethanol?
The canonical SMILES for 2-(2-bromocyclohex-2-en-1-yl)ethanol is OCCC1CCCC=C1Br.
What is the InChIKey of 2-(2-bromocyclohex-2-en-1-yl)ethanol?
The InChIKey is LFEKIROZUVSKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO/c9-8-4-2-1-3-7(8)5-6-10/h4,7,10H,1-3,5-6H2.
What are the key properties of 2-(2-bromocyclohex-2-en-1-yl)ethanol?
2-(2-bromocyclohex-2-en-1-yl)ethanol has a molecular weight of 205.09 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocyclohex-2-en-1-yl)ethanol is sourced from PubChem (CID 11769633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).