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

C19H19Cl2NO5 — CID 54271602

IUPAC[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OC[C@H]1CCCO1
InChIInChI=1S/C19H19Cl2NO5/c1-12(19(23)25-11-16-3-2-8-24-16)26-14-4-6-15(7-5-14)27-18-17(21)9-13(20)10-22-18/h4-7,9-10,12,16H,2-3,8,11H2,1H3/t12?,16-/m1/s1
InChIKeyRKNGZIYTUGVKSV-PVQCJRHBSA-N
MW412.27 g/mol
LogP4.67
Rot. Bonds7

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

[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 54271602) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID54271602
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC Name[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OC[C@H]1CCCO1
InChIInChI=1S/C19H19Cl2NO5/c1-12(19(23)25-11-16-3-2-8-24-16)26-14-4-6-15(7-5-14)27-18-17(21)9-13(20)10-22-18/h4-7,9-10,12,16H,2-3,8,11H2,1H3/t12?,16-/m1/s1
InChIKeyRKNGZIYTUGVKSV-PVQCJRHBSA-N
XLogP4.67
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate with MolForge

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Related Compounds

N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78882748
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2424310
[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate
CID 88611367
oxolan-2-ylmethyl 3-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17178851
[(2S)-oxolan-2-yl]methyl 2-(2,4,5-trichlorophenyl)sulfonyloxypropanoate
CID 88611400
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222499
oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17201593
ethyl (4R)-2-[1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 54253432
(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 41386334
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (CID 54271602) is [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OC[C@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is RKNGZIYTUGVKSV-PVQCJRHBSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c1-12(19(23)25-11-16-3-2-8-24-16)26-14-4-6-15(7-5-14)27-18-17(21)9-13(20)10-22-18/h4-7,9-10,12,16H,2-3,8,11H2,1H3/t12?,16-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 412.27 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 54271602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).