3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol

C16H17NO2 — CID 142537246

IUPAC3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol
SMILESOc1cccc(-c2ccc(OCC3CCC3)nc2)c1
InChIInChI=1S/C16H17NO2/c18-15-6-2-5-13(9-15)14-7-8-16(17-10-14)19-11-12-3-1-4-12/h2,5-10,12,18H,1,3-4,11H2
InChIKeyNQKQSPDBSQACHU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.63
Rot. Bonds4

About 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol

3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol (PubChem CID 142537246) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol
PubChem CID142537246
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol
SMILESOc1cccc(-c2ccc(OCC3CCC3)nc2)c1
InChIInChI=1S/C16H17NO2/c18-15-6-2-5-13(9-15)14-7-8-16(17-10-14)19-11-12-3-1-4-12/h2,5-10,12,18H,1,3-4,11H2
InChIKeyNQKQSPDBSQACHU-UHFFFAOYSA-N
XLogP3.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol?
The IUPAC name of 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol (CID 142537246) is 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol.
What is the SMILES notation for 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol?
The canonical SMILES for 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol is Oc1cccc(-c2ccc(OCC3CCC3)nc2)c1.
What is the InChIKey of 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol?
The InChIKey is NQKQSPDBSQACHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15-6-2-5-13(9-15)14-7-8-16(17-10-14)19-11-12-3-1-4-12/h2,5-10,12,18H,1,3-4,11H2.
What are the key properties of 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol?
3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol has a molecular weight of 255.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol is sourced from PubChem (CID 142537246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).