[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate

C20H13Cl4NO4 — CID 110193308

IUPAC[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)Oc1cccc(Oc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C20H13Cl4NO4/c1-11(27-17-6-12(21)5-13(22)7-17)20(26)29-16-4-2-3-15(9-16)28-19-18(24)8-14(23)10-25-19/h2-11H,1H3
InChIKeyZHWXLQQHXGKOLH-UHFFFAOYSA-N
MW473.14 g/mol
LogP6.86
Rot. Bonds6

About [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate

[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate (PubChem CID 110193308) has the molecular formula C20H13Cl4NO4 and a molecular weight of 473.14 g/mol. Its IUPAC name is [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate
PubChem CID110193308
Molecular FormulaC20H13Cl4NO4
Molecular Weight473.14 g/mol
Exact Mass470.96
IUPAC Name[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)Oc1cccc(Oc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C20H13Cl4NO4/c1-11(27-17-6-12(21)5-13(22)7-17)20(26)29-16-4-2-3-15(9-16)28-19-18(24)8-14(23)10-25-19/h2-11H,1H3
InChIKeyZHWXLQQHXGKOLH-UHFFFAOYSA-N
XLogP6.86
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.14
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
methyl 2-[3-(2,4,6-trichlorophenoxy)phenoxy]propanoate
CID 57018174
3-phenylmethoxypropyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 13132208
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398001
[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54271602
N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide
CID 175078342
(4-chlorophenyl) 2-(3-aminophenoxy)propanoate
CID 133164899
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
dimethyl 5-[2-(3-chlorophenoxy)propanoyloxy]benzene-1,3-dicarboxylate
CID 55341605

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate?
The IUPAC name of [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate (CID 110193308) is [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate.
What is the SMILES notation for [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate?
The canonical SMILES for [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate is CC(Oc1cc(Cl)cc(Cl)c1)C(=O)Oc1cccc(Oc2ncc(Cl)cc2Cl)c1.
What is the InChIKey of [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate?
The InChIKey is ZHWXLQQHXGKOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl4NO4/c1-11(27-17-6-12(21)5-13(22)7-17)20(26)29-16-4-2-3-15(9-16)28-19-18(24)8-14(23)10-25-19/h2-11H,1H3.
What are the key properties of [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate?
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate has a molecular weight of 473.14 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate is sourced from PubChem (CID 110193308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).