4-(pyridin-2-ylmethyl)phenol

C12H11NO — CID 603599

IUPAC4-(pyridin-2-ylmethyl)phenol
SMILESOc1ccc(Cc2ccccn2)cc1
InChIInChI=1S/C12H11NO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h1-8,14H,9H2
InChIKeyFYKBHPFNYWJDFQ-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.38
Rot. Bonds2

About 4-(pyridin-2-ylmethyl)phenol

4-(pyridin-2-ylmethyl)phenol (PubChem CID 603599) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)phenol
PubChem CID603599
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-(pyridin-2-ylmethyl)phenol
SMILESOc1ccc(Cc2ccccn2)cc1
InChIInChI=1S/C12H11NO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h1-8,14H,9H2
InChIKeyFYKBHPFNYWJDFQ-UHFFFAOYSA-N
XLogP2.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)phenol?
The IUPAC name of 4-(pyridin-2-ylmethyl)phenol (CID 603599) is 4-(pyridin-2-ylmethyl)phenol.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)phenol?
The canonical SMILES for 4-(pyridin-2-ylmethyl)phenol is Oc1ccc(Cc2ccccn2)cc1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)phenol?
The InChIKey is FYKBHPFNYWJDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h1-8,14H,9H2.
What are the key properties of 4-(pyridin-2-ylmethyl)phenol?
4-(pyridin-2-ylmethyl)phenol has a molecular weight of 185.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)phenol is sourced from PubChem (CID 603599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).