3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol

C12H14O2 — CID 115063837

IUPAC3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol
SMILESOc1cccc(C23CCC(CO2)C3)c1
InChIInChI=1S/C12H14O2/c13-11-3-1-2-10(6-11)12-5-4-9(7-12)8-14-12/h1-3,6,9,13H,4-5,7-8H2
InChIKeyIXVWDNOCLLQSHV-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.42
Rot. Bonds1

About 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol

3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol (PubChem CID 115063837) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol.

Molecular Properties

Compound Name3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol
PubChem CID115063837
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol
SMILESOc1cccc(C23CCC(CO2)C3)c1
InChIInChI=1S/C12H14O2/c13-11-3-1-2-10(6-11)12-5-4-9(7-12)8-14-12/h1-3,6,9,13H,4-5,7-8H2
InChIKeyIXVWDNOCLLQSHV-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol?
The IUPAC name of 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol (CID 115063837) is 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol.
What is the SMILES notation for 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol?
The canonical SMILES for 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol is Oc1cccc(C23CCC(CO2)C3)c1.
What is the InChIKey of 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol?
The InChIKey is IXVWDNOCLLQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-3-1-2-10(6-11)12-5-4-9(7-12)8-14-12/h1-3,6,9,13H,4-5,7-8H2.
What are the key properties of 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol?
3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol has a molecular weight of 190.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol is sourced from PubChem (CID 115063837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).