3-(1-bicyclo[1.1.1]pentanyl)phenol

C11H12O — CID 122235352

IUPAC3-(1-bicyclo[1.1.1]pentanyl)phenol
SMILESOc1cccc(C23CC(C2)C3)c1
InChIInChI=1S/C11H12O/c12-10-3-1-2-9(4-10)11-5-8(6-11)7-11/h1-4,8,12H,5-7H2
InChIKeyHCEUSYKJHSJDQL-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.44
Rot. Bonds1

About 3-(1-bicyclo[1.1.1]pentanyl)phenol

3-(1-bicyclo[1.1.1]pentanyl)phenol (PubChem CID 122235352) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(1-bicyclo[1.1.1]pentanyl)phenol.

Molecular Properties

Compound Name3-(1-bicyclo[1.1.1]pentanyl)phenol
PubChem CID122235352
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name3-(1-bicyclo[1.1.1]pentanyl)phenol
SMILESOc1cccc(C23CC(C2)C3)c1
InChIInChI=1S/C11H12O/c12-10-3-1-2-9(4-10)11-5-8(6-11)7-11/h1-4,8,12H,5-7H2
InChIKeyHCEUSYKJHSJDQL-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[1.1.1]pentanyl)phenol?
The IUPAC name of 3-(1-bicyclo[1.1.1]pentanyl)phenol (CID 122235352) is 3-(1-bicyclo[1.1.1]pentanyl)phenol.
What is the SMILES notation for 3-(1-bicyclo[1.1.1]pentanyl)phenol?
The canonical SMILES for 3-(1-bicyclo[1.1.1]pentanyl)phenol is Oc1cccc(C23CC(C2)C3)c1.
What is the InChIKey of 3-(1-bicyclo[1.1.1]pentanyl)phenol?
The InChIKey is HCEUSYKJHSJDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c12-10-3-1-2-9(4-10)11-5-8(6-11)7-11/h1-4,8,12H,5-7H2.
What are the key properties of 3-(1-bicyclo[1.1.1]pentanyl)phenol?
3-(1-bicyclo[1.1.1]pentanyl)phenol has a molecular weight of 160.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bicyclo[1.1.1]pentanyl)phenol is sourced from PubChem (CID 122235352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).