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

C16H15Cl2NO4 — CID 1380030

IUPACethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO4/c1-3-21-16(20)10(2)22-12-4-6-13(7-5-12)23-15-14(18)8-11(17)9-19-15/h4-10H,3H2,1-2H3/t10-/m1/s1
InChIKeyJNYFNQWRGSQZQC-SNVBAGLBSA-N
MW356.21 g/mol
LogP4.51
Rot. Bonds6

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

ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 1380030) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID1380030
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Nameethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO4/c1-3-21-16(20)10(2)22-12-4-6-13(7-5-12)23-15-14(18)8-11(17)9-19-15/h4-10H,3H2,1-2H3/t10-/m1/s1
InChIKeyJNYFNQWRGSQZQC-SNVBAGLBSA-N
XLogP4.51
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Clodinafop-propargyl
CID 92431
Haloxyfop-P
CID 448979
Haloxyfop
CID 50895
Haloxyfop-methyl
CID 50896
haloxyfop-P-methyl
CID 13363033
Clodinafop
CID 5483847
Tcpobop
CID 5382
4-(3,5-Dichloro-pyridin-2-yloxy)-phenol
CID 620880
Haloxyfop-etotyl
CID 91743
Nicofibrate
CID 65778
Methyl-phenyl-carbamic acid 4-(3,5-dichloro-pyridin-2-yloxy)-phenyl ester
CID 10215997
Chlorazifop
CID 173715

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (CID 1380030) is ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is JNYFNQWRGSQZQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-3-21-16(20)10(2)22-12-4-6-13(7-5-12)23-15-14(18)8-11(17)9-19-15/h4-10H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 356.21 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 1380030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).