ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate

C17H18ClNO4 — CID 67661567

IUPACethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1
InChIInChI=1S/C17H18ClNO4/c1-4-21-17(20)12(3)22-13-5-7-14(8-6-13)23-16-15(18)9-11(2)10-19-16/h5-10,12H,4H2,1-3H3
InChIKeyUWQIRHAEQLZAQP-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.17
Rot. Bonds6

About ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate

ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 67661567) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID67661567
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Nameethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1
InChIInChI=1S/C17H18ClNO4/c1-4-21-17(20)12(3)22-13-5-7-14(8-6-13)23-16-15(18)9-11(2)10-19-16/h5-10,12H,4H2,1-3H3
InChIKeyUWQIRHAEQLZAQP-UHFFFAOYSA-N
XLogP4.17
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine
CID 89433011
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one
CID 161079461
methoxymethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 67846451
ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate
CID 21162883
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54271602
ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate
CID 11245621
(2-ethoxy-2-oxoethyl)sulfanyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54054161
3-phenylmethoxypropyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 13132208

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate (CID 67661567) is ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.
What is the InChIKey of ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is UWQIRHAEQLZAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-4-21-17(20)12(3)22-13-5-7-14(8-6-13)23-16-15(18)9-11(2)10-19-16/h5-10,12H,4H2,1-3H3.
What are the key properties of ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate?
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 335.79 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 67661567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).