4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol

C18H15NO2 — CID 46901610

IUPAC4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol
SMILESOc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1O
InChIInChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2
InChIKeyKOYRCBKCALKGKO-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.75
Rot. Bonds3

About 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol

4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol (PubChem CID 46901610) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol
PubChem CID46901610
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol
SMILESOc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1O
InChIInChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2
InChIKeyKOYRCBKCALKGKO-UHFFFAOYSA-N
XLogP3.75
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
Papaveroline
CID 5459346
5-Hexyl-2-pyridin-4-yloxyphenol
CID 44450160
5-Hexyl-2-pyridin-2-yloxyphenol
CID 44450183
6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
4-[5-(Pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]benzene-1,2-diol
CID 25033660
4-[5-(Pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzene-1,2-diol
CID 25033728
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol?
The IUPAC name of 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol (CID 46901610) is 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol?
The canonical SMILES for 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol is Oc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1O.
What is the InChIKey of 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol?
The InChIKey is KOYRCBKCALKGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2.
What are the key properties of 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol?
4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol has a molecular weight of 277.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diol is sourced from PubChem (CID 46901610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).