6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol

C22H17NO — CID 46901929

IUPAC6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3ccc(Cc4ccncc4)cc3)ccc2c1
InChIInChI=1S/C22H17NO/c24-22-8-7-20-14-19(5-6-21(20)15-22)18-3-1-16(2-4-18)13-17-9-11-23-12-10-17/h1-12,14-15,24H,13H2
InChIKeyOCQPVXWUPNNJIV-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.20
Rot. Bonds3

About 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol

6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol (PubChem CID 46901929) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
PubChem CID46901929
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3ccc(Cc4ccncc4)cc3)ccc2c1
InChIInChI=1S/C22H17NO/c24-22-8-7-20-14-19(5-6-21(20)15-22)18-3-1-16(2-4-18)13-17-9-11-23-12-10-17/h1-12,14-15,24H,13H2
InChIKeyOCQPVXWUPNNJIV-UHFFFAOYSA-N
XLogP5.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol?
The IUPAC name of 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol (CID 46901929) is 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol.
What is the SMILES notation for 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol?
The canonical SMILES for 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol is Oc1ccc2cc(-c3ccc(Cc4ccncc4)cc3)ccc2c1.
What is the InChIKey of 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol?
The InChIKey is OCQPVXWUPNNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c24-22-8-7-20-14-19(5-6-21(20)15-22)18-3-1-16(2-4-18)13-17-9-11-23-12-10-17/h1-12,14-15,24H,13H2.
What are the key properties of 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol?
6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol has a molecular weight of 311.38 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pyridin-4-ylmethyl)phenyl]naphthalen-2-ol is sourced from PubChem (CID 46901929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).