2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol

C18H13Cl2NO2 — CID 25023972

IUPAC2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol
SMILESOc1cc(Cc2cccnc2)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2NO2/c19-14-4-6-17(15(20)10-14)23-18-5-3-12(9-16(18)22)8-13-2-1-7-21-11-13/h1-7,9-11,22H,8H2
InChIKeyWAXFANKFAQHYIV-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.48
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol

2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol (PubChem CID 25023972) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol
PubChem CID25023972
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol
SMILESOc1cc(Cc2cccnc2)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2NO2/c19-14-4-6-17(15(20)10-14)23-18-5-3-12(9-16(18)22)8-13-2-1-7-21-11-13/h1-7,9-11,22H,8H2
InChIKeyWAXFANKFAQHYIV-UHFFFAOYSA-N
XLogP5.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-Dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
CID 16220130
3-Chloro-4-[2-hydroxy-4-(pyridin-2-yl)phenoxy]benzonitrile
CID 16220129
3-Chloro-4-[2-hydroxy-4-(pyridin-4-ylmethyl)phenoxy]benzonitrile
CID 25023973
5-Hexyl-2-pyridin-4-yloxyphenol
CID 44450160
5-Hexyl-2-pyridin-2-yloxyphenol
CID 44450183
4-[(R)-2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-ethyl]-pyridine
CID 9953237
4-(2,5-Dichlorophenoxy)-3-[2-(4-pyridyl)ethoxy]benzonitrile
CID 56925666
3-Chloro-4-[2-hydroxy-4-(4-pyridyl)phenoxy]benzonitrile
CID 25023971
4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-ethyl]-pyridine
CID 44282235
4-[2-(4-Chloro-phenyl)-2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethyl]-pyridine
CID 44282707
2-(2,4-Dichlorophenoxy)-5-(pyridin-3-yl)phenol
CID 25023970
5-[(4-Butyl-2-pyridinyl)methyl]-2-(2,4-dichlorophenoxy)phenol
CID 145959684

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol (CID 25023972) is 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol is Oc1cc(Cc2cccnc2)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol?
The InChIKey is WAXFANKFAQHYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c19-14-4-6-17(15(20)10-14)23-18-5-3-12(9-16(18)22)8-13-2-1-7-21-11-13/h1-7,9-11,22H,8H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol?
2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol has a molecular weight of 346.21 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol is sourced from PubChem (CID 25023972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).