7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol

C6H4O2 — CID 19835588

IUPAC7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol
SMILESOc1cc2ccc1o2
InChIInChI=1S/C6H4O2/c7-5-3-4-1-2-6(5)8-4/h1-3,7H
InChIKeyZVJIVJGAKRBHQA-UHFFFAOYSA-N
MW108.10 g/mol
LogP1.58
Rot. Bonds

About 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol

7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol (PubChem CID 19835588) has the molecular formula C6H4O2 and a molecular weight of 108.10 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol
PubChem CID19835588
Molecular FormulaC6H4O2
Molecular Weight108.10 g/mol
Exact Mass108.02
IUPAC Name7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol
SMILESOc1cc2ccc1o2
InChIInChI=1S/C6H4O2/c7-5-3-4-1-2-6(5)8-4/h1-3,7H
InChIKeyZVJIVJGAKRBHQA-UHFFFAOYSA-N
XLogP1.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol?
The IUPAC name of 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol (CID 19835588) is 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol.
What is the SMILES notation for 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol?
The canonical SMILES for 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol is Oc1cc2ccc1o2.
What is the InChIKey of 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol?
The InChIKey is ZVJIVJGAKRBHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2/c7-5-3-4-1-2-6(5)8-4/h1-3,7H.
What are the key properties of 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol?
7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol has a molecular weight of 108.10 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol is sourced from PubChem (CID 19835588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).