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

C18H16N2O2 — CID 11197100

IUPAC3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol
SMILESOc1ccc(-c2cncc(NCc3cccc(O)c3)c2)cc1
InChIInChI=1S/C18H16N2O2/c21-17-6-4-14(5-7-17)15-9-16(12-19-11-15)20-10-13-2-1-3-18(22)8-13/h1-9,11-12,20-22H,10H2
InChIKeyOJAZEHXHEBMCSC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.77
Rot. Bonds4

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

3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol (PubChem CID 11197100) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol
PubChem CID11197100
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol
SMILESOc1ccc(-c2cncc(NCc3cccc(O)c3)c2)cc1
InChIInChI=1S/C18H16N2O2/c21-17-6-4-14(5-7-17)15-9-16(12-19-11-15)20-10-13-2-1-3-18(22)8-13/h1-9,11-12,20-22H,10H2
InChIKeyOJAZEHXHEBMCSC-UHFFFAOYSA-N
XLogP3.77
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol
CID 46901610
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
4-[5-(Piperidin-3-ylamino)isoquinolin-7-yl]phenol
CID 156018227
4-Methyl-2-[(quinolin-3-ylamino)methyl]phenol
CID 951116
4-[5-(4-Hydroxyphenyl)-3-pyridinyl]phenol
CID 10422855
4-[5-(1,3-Benzodioxol-5-ylmethylamino)-3-pyridinyl]phenol
CID 11551495
4-[5-[(3,4-Difluorophenyl)methylamino]-3-pyridinyl]phenol
CID 11652532
4-[5-[(4-Chlorophenyl)methylamino]-3-pyridinyl]phenol
CID 11666742
3-Phenyl-5-(pyridin-3-ylamino)phenol
CID 25115110

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol (CID 11197100) is 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol is Oc1ccc(-c2cncc(NCc3cccc(O)c3)c2)cc1.
What is the InChIKey of 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is OJAZEHXHEBMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17-6-4-14(5-7-17)15-9-16(12-19-11-15)20-10-13-2-1-3-18(22)8-13/h1-9,11-12,20-22H,10H2.
What are the key properties of 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol?
3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 292.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 11197100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).