3-(2-pyridin-2-ylpropan-2-yloxy)phenol

C14H15NO2 — CID 117095456

IUPAC3-(2-pyridin-2-ylpropan-2-yloxy)phenol
SMILESCC(C)(Oc1cccc(O)c1)c1ccccn1
InChIInChI=1S/C14H15NO2/c1-14(2,13-8-3-4-9-15-13)17-12-7-5-6-11(16)10-12/h3-10,16H,1-2H3
InChIKeySFSIYCKHENPRPV-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.10
Rot. Bonds3

About 3-(2-pyridin-2-ylpropan-2-yloxy)phenol

3-(2-pyridin-2-ylpropan-2-yloxy)phenol (PubChem CID 117095456) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylpropan-2-yloxy)phenol.

Molecular Properties

Compound Name3-(2-pyridin-2-ylpropan-2-yloxy)phenol
PubChem CID117095456
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(2-pyridin-2-ylpropan-2-yloxy)phenol
SMILESCC(C)(Oc1cccc(O)c1)c1ccccn1
InChIInChI=1S/C14H15NO2/c1-14(2,13-8-3-4-9-15-13)17-12-7-5-6-11(16)10-12/h3-10,16H,1-2H3
InChIKeySFSIYCKHENPRPV-UHFFFAOYSA-N
XLogP3.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylpropan-2-yloxy)phenol?
The IUPAC name of 3-(2-pyridin-2-ylpropan-2-yloxy)phenol (CID 117095456) is 3-(2-pyridin-2-ylpropan-2-yloxy)phenol.
What is the SMILES notation for 3-(2-pyridin-2-ylpropan-2-yloxy)phenol?
The canonical SMILES for 3-(2-pyridin-2-ylpropan-2-yloxy)phenol is CC(C)(Oc1cccc(O)c1)c1ccccn1.
What is the InChIKey of 3-(2-pyridin-2-ylpropan-2-yloxy)phenol?
The InChIKey is SFSIYCKHENPRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(2,13-8-3-4-9-15-13)17-12-7-5-6-11(16)10-12/h3-10,16H,1-2H3.
What are the key properties of 3-(2-pyridin-2-ylpropan-2-yloxy)phenol?
3-(2-pyridin-2-ylpropan-2-yloxy)phenol has a molecular weight of 229.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylpropan-2-yloxy)phenol is sourced from PubChem (CID 117095456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).