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

C22H17NO2 — CID 162646914

IUPAC1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
SMILESOc1ccc(C(c2ccccn2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C22H17NO2/c24-17-11-8-16(9-12-17)21(19-7-3-4-14-23-19)22-18-6-2-1-5-15(18)10-13-20(22)25/h1-14,21,24-25H
InChIKeySWBWYJKTFNEAMV-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.83
Rot. Bonds3

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

1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol (PubChem CID 162646914) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
PubChem CID162646914
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
SMILESOc1ccc(C(c2ccccn2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C22H17NO2/c24-17-11-8-16(9-12-17)21(19-7-3-4-14-23-19)22-18-6-2-1-5-15(18)10-13-20(22)25/h1-14,21,24-25H
InChIKeySWBWYJKTFNEAMV-UHFFFAOYSA-N
XLogP4.83
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol (CID 162646914) is 1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol is Oc1ccc(C(c2ccccn2)c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol?
The InChIKey is SWBWYJKTFNEAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-17-11-8-16(9-12-17)21(19-7-3-4-14-23-19)22-18-6-2-1-5-15(18)10-13-20(22)25/h1-14,21,24-25H.
What are the key properties of 1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol?
1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol has a molecular weight of 327.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 162646914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).