2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol

C8H8O2 — CID 151822085

IUPAC2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol
SMILESOCCc1cc2ccc1o2
InChIInChI=1S/C8H8O2/c9-4-3-6-5-7-1-2-8(6)10-7/h1-2,5,9H,3-4H2
InChIKeySCVQBXNVSBCMDC-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.41
Rot. Bonds2

About 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol

2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol (PubChem CID 151822085) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol
PubChem CID151822085
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol
SMILESOCCc1cc2ccc1o2
InChIInChI=1S/C8H8O2/c9-4-3-6-5-7-1-2-8(6)10-7/h1-2,5,9H,3-4H2
InChIKeySCVQBXNVSBCMDC-UHFFFAOYSA-N
XLogP1.41
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol (CID 151822085) is 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol is OCCc1cc2ccc1o2.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol?
The InChIKey is SCVQBXNVSBCMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-4-3-6-5-7-1-2-8(6)10-7/h1-2,5,9H,3-4H2.
What are the key properties of 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol?
2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol has a molecular weight of 136.15 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethanol is sourced from PubChem (CID 151822085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).