2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

C23H20Cl2FNO5 — CID 13132194

IUPAC2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OCCOCc1ccccc1F
InChIInChI=1S/C23H20Cl2FNO5/c1-15(23(28)30-11-10-29-14-16-4-2-3-5-21(16)26)31-18-6-8-19(9-7-18)32-22-20(25)12-17(24)13-27-22/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyHZRSJETYNMBYKJ-UHFFFAOYSA-N
MW480.32 g/mol
LogP5.85
Rot. Bonds10

About 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 13132194) has the molecular formula C23H20Cl2FNO5 and a molecular weight of 480.32 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID13132194
Molecular FormulaC23H20Cl2FNO5
Molecular Weight480.32 g/mol
Exact Mass479.07
IUPAC Name2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OCCOCc1ccccc1F
InChIInChI=1S/C23H20Cl2FNO5/c1-15(23(28)30-11-10-29-14-16-4-2-3-5-21(16)26)31-18-6-8-19(9-7-18)32-22-20(25)12-17(24)13-27-22/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyHZRSJETYNMBYKJ-UHFFFAOYSA-N
XLogP5.85
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.32
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (CID 13132194) is 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OCCOCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is HZRSJETYNMBYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FNO5/c1-15(23(28)30-11-10-29-14-16-4-2-3-5-21(16)26)31-18-6-8-19(9-7-18)32-22-20(25)12-17(24)13-27-22/h2-9,12-13,15H,10-11,14H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 480.32 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 13132194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).