3-[4-(pyridin-4-ylmethyl)phenyl]phenol

C18H15NO — CID 46901446

IUPAC3-[4-(pyridin-4-ylmethyl)phenyl]phenol
SMILESOc1cccc(-c2ccc(Cc3ccncc3)cc2)c1
InChIInChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2
InChIKeyGFIBJCSJSOCGMM-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.05
Rot. Bonds3

About 3-[4-(pyridin-4-ylmethyl)phenyl]phenol

3-[4-(pyridin-4-ylmethyl)phenyl]phenol (PubChem CID 46901446) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[4-(pyridin-4-ylmethyl)phenyl]phenol.

Molecular Properties

Compound Name3-[4-(pyridin-4-ylmethyl)phenyl]phenol
PubChem CID46901446
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name3-[4-(pyridin-4-ylmethyl)phenyl]phenol
SMILESOc1cccc(-c2ccc(Cc3ccncc3)cc2)c1
InChIInChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2
InChIKeyGFIBJCSJSOCGMM-UHFFFAOYSA-N
XLogP4.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-4-ylmethyl)phenyl]phenol?
The IUPAC name of 3-[4-(pyridin-4-ylmethyl)phenyl]phenol (CID 46901446) is 3-[4-(pyridin-4-ylmethyl)phenyl]phenol.
What is the SMILES notation for 3-[4-(pyridin-4-ylmethyl)phenyl]phenol?
The canonical SMILES for 3-[4-(pyridin-4-ylmethyl)phenyl]phenol is Oc1cccc(-c2ccc(Cc3ccncc3)cc2)c1.
What is the InChIKey of 3-[4-(pyridin-4-ylmethyl)phenyl]phenol?
The InChIKey is GFIBJCSJSOCGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2.
What are the key properties of 3-[4-(pyridin-4-ylmethyl)phenyl]phenol?
3-[4-(pyridin-4-ylmethyl)phenyl]phenol has a molecular weight of 261.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-4-ylmethyl)phenyl]phenol is sourced from PubChem (CID 46901446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).