1-(2-bromocyclohexen-1-yl)ethanol

C8H13BrO — CID 154703297

IUPAC1-(2-bromocyclohexen-1-yl)ethanol
SMILESCC(O)C1=C(Br)CCCC1
InChIInChI=1S/C8H13BrO/c1-6(10)7-4-2-3-5-8(7)9/h6,10H,2-5H2,1H3
InChIKeyGSGDEJZHKYTRNY-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.59
Rot. Bonds1

About 1-(2-bromocyclohexen-1-yl)ethanol

1-(2-bromocyclohexen-1-yl)ethanol (PubChem CID 154703297) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is 1-(2-bromocyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromocyclohexen-1-yl)ethanol
PubChem CID154703297
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name1-(2-bromocyclohexen-1-yl)ethanol
SMILESCC(O)C1=C(Br)CCCC1
InChIInChI=1S/C8H13BrO/c1-6(10)7-4-2-3-5-8(7)9/h6,10H,2-5H2,1H3
InChIKeyGSGDEJZHKYTRNY-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclohexen-1-yl)ethanol?
The IUPAC name of 1-(2-bromocyclohexen-1-yl)ethanol (CID 154703297) is 1-(2-bromocyclohexen-1-yl)ethanol.
What is the SMILES notation for 1-(2-bromocyclohexen-1-yl)ethanol?
The canonical SMILES for 1-(2-bromocyclohexen-1-yl)ethanol is CC(O)C1=C(Br)CCCC1.
What is the InChIKey of 1-(2-bromocyclohexen-1-yl)ethanol?
The InChIKey is GSGDEJZHKYTRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO/c1-6(10)7-4-2-3-5-8(7)9/h6,10H,2-5H2,1H3.
What are the key properties of 1-(2-bromocyclohexen-1-yl)ethanol?
1-(2-bromocyclohexen-1-yl)ethanol has a molecular weight of 205.09 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclohexen-1-yl)ethanol is sourced from PubChem (CID 154703297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).