3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol

C18H15NO2 — CID 91408160

IUPAC3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol
SMILESOc1ccc(-c2cncc(Cc3cccc(O)c3)c2)cc1
InChIInChI=1S/C18H15NO2/c20-17-6-4-15(5-7-17)16-9-14(11-19-12-16)8-13-2-1-3-18(21)10-13/h1-7,9-12,20-21H,8H2
InChIKeyZWGLRYKXSXQHJH-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.75
Rot. Bonds3

About 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol

3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol (PubChem CID 91408160) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol
PubChem CID91408160
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol
SMILESOc1ccc(-c2cncc(Cc3cccc(O)c3)c2)cc1
InChIInChI=1S/C18H15NO2/c20-17-6-4-15(5-7-17)16-9-14(11-19-12-16)8-13-2-1-3-18(21)10-13/h1-7,9-12,20-21H,8H2
InChIKeyZWGLRYKXSXQHJH-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

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Related Compounds

4-(3-benzylphenyl)phenol
CID 101277658
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
4-(5-bromo-3-pyridinyl)phenol
CID 68606449
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
4-[3-(fluoromethyl)phenyl]phenol
CID 174968947
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol
CID 68947843
1,4-bis(3-benzylphenyl)benzene
CID 175442136
3-ethylphenol;4-ethylphenol
CID 70541430
[3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium
CID 58907470

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol?
The IUPAC name of 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol (CID 91408160) is 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol.
What is the SMILES notation for 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol?
The canonical SMILES for 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol is Oc1ccc(-c2cncc(Cc3cccc(O)c3)c2)cc1.
What is the InChIKey of 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol?
The InChIKey is ZWGLRYKXSXQHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17-6-4-15(5-7-17)16-9-14(11-19-12-16)8-13-2-1-3-18(21)10-13/h1-7,9-12,20-21H,8H2.
What are the key properties of 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol?
3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol 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 3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol is sourced from PubChem (CID 91408160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).