1-(oxiren-2-yl)ethanol

C4H6O2 — CID 140566746

IUPAC1-(oxiren-2-yl)ethanol
SMILESCC(O)C1=CO1
InChIInChI=1S/C4H6O2/c1-3(5)4-2-6-4/h2-3,5H,1H3
InChIKeyYZJNXSCOUHUYBR-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.24
Rot. Bonds1

About 1-(oxiren-2-yl)ethanol

1-(oxiren-2-yl)ethanol (PubChem CID 140566746) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is 1-(oxiren-2-yl)ethanol.

Molecular Properties

Compound Name1-(oxiren-2-yl)ethanol
PubChem CID140566746
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name1-(oxiren-2-yl)ethanol
SMILESCC(O)C1=CO1
InChIInChI=1S/C4H6O2/c1-3(5)4-2-6-4/h2-3,5H,1H3
InChIKeyYZJNXSCOUHUYBR-UHFFFAOYSA-N
XLogP0.24
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-3-buten-2-ol
CID 85624637
But-1-ene-1,2,3-triol
CID 59748512
(1S)-1-(oxiren-2-yl)propan-1-ol
CID 70404951
(1R)-1-(oxiren-2-yl)propan-1-ol
CID 70405728
3,4-Dimethoxybut-3-en-2-ol
CID 123610572
(Z)-1-methoxybut-1-ene-2,3-diol
CID 129027390
3-Ethenoxybut-3-en-2-ol
CID 139943024
3-Hydroxybut-1-en-2-olate
CID 176597384
3-Ethoxybut-3-en-2-ol
CID 12613409
3-Methoxypenta-3,4-dien-2-ol
CID 14912706
(E)-but-1-ene-1,2,3-triol
CID 158303583

Frequently Asked Questions

What is the IUPAC name of 1-(oxiren-2-yl)ethanol?
The IUPAC name of 1-(oxiren-2-yl)ethanol (CID 140566746) is 1-(oxiren-2-yl)ethanol.
What is the SMILES notation for 1-(oxiren-2-yl)ethanol?
The canonical SMILES for 1-(oxiren-2-yl)ethanol is CC(O)C1=CO1.
What is the InChIKey of 1-(oxiren-2-yl)ethanol?
The InChIKey is YZJNXSCOUHUYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h2-3,5H,1H3.
What are the key properties of 1-(oxiren-2-yl)ethanol?
1-(oxiren-2-yl)ethanol has a molecular weight of 86.09 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiren-2-yl)ethanol is sourced from PubChem (CID 140566746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).