2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol

C8H10O2 — CID 141182749

IUPAC2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
SMILESOCCC12C=CC=CC1O2
InChIInChI=1S/C8H10O2/c9-6-5-8-4-2-1-3-7(8)10-8/h1-4,7,9H,5-6H2
InChIKeyUKWAQDUUHZYQML-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.63
Rot. Bonds2

About 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol

2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol (PubChem CID 141182749) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
PubChem CID141182749
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
SMILESOCCC12C=CC=CC1O2
InChIInChI=1S/C8H10O2/c9-6-5-8-4-2-1-3-7(8)10-8/h1-4,7,9H,5-6H2
InChIKeyUKWAQDUUHZYQML-UHFFFAOYSA-N
XLogP0.63
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)methanol
CID 12663004
Allylbenzene oxide
CID 21963701
Styrene oxide oxide
CID 88421445
1-Methoxyphenethyl alcohol
CID 141314987
2-(4,6-Difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
CID 156695249
o-(2-Hydroxyethyl)guaiacol
CID 132278980
2-Ethoxyallylbenzene oxide
CID 21393576
[6-(Hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol
CID 71416052
3-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)propan-1-ol
CID 88294065
2-[6-(2-Hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-1,3-dien-3-yl]ethanol
CID 88515668
2-[6-(2-Hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol
CID 88515669
7-Oxabicyclo[4.1.0]hept-4-en-2-ylmethanol
CID 140069480

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol (CID 141182749) is 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol is OCCC12C=CC=CC1O2.
What is the InChIKey of 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
The InChIKey is UKWAQDUUHZYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-5-8-4-2-1-3-7(8)10-8/h1-4,7,9H,5-6H2.
What are the key properties of 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol has a molecular weight of 138.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 141182749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).