1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol

C23H19NO2 — CID 162655301

IUPAC1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
SMILESCOc1ccc(C(c2ccccn2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C23H19NO2/c1-26-18-12-9-17(10-13-18)22(20-8-4-5-15-24-20)23-19-7-3-2-6-16(19)11-14-21(23)25/h2-15,22,25H,1H3
InChIKeyWZFQALZRNFYXQT-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.13
Rot. Bonds4

About 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol

1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol (PubChem CID 162655301) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
PubChem CID162655301
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
SMILESCOc1ccc(C(c2ccccn2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C23H19NO2/c1-26-18-12-9-17(10-13-18)22(20-8-4-5-15-24-20)23-19-7-3-2-6-16(19)11-14-21(23)25/h2-15,22,25H,1H3
InChIKeyWZFQALZRNFYXQT-UHFFFAOYSA-N
XLogP5.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol (CID 162655301) is 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol is COc1ccc(C(c2ccccn2)c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol?
The InChIKey is WZFQALZRNFYXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-26-18-12-9-17(10-13-18)22(20-8-4-5-15-24-20)23-19-7-3-2-6-16(19)11-14-21(23)25/h2-15,22,25H,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol?
1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol has a molecular weight of 341.41 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 162655301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).