[1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate

C15H17Cl2NO4 — CID 70420726

IUPAC[1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
SMILESCOC(=O)OC1=CCCN(CCOc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H17Cl2NO4/c1-20-15(19)22-12-3-2-6-18(10-12)7-8-21-14-5-4-11(16)9-13(14)17/h3-5,9H,2,6-8,10H2,1H3
InChIKeyCVXARBADKDSKGX-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.74
Rot. Bonds5

About [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate

[1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate (PubChem CID 70420726) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate.

Molecular Properties

Compound Name[1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
PubChem CID70420726
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name[1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
SMILESCOC(=O)OC1=CCCN(CCOc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H17Cl2NO4/c1-20-15(19)22-12-3-2-6-18(10-12)7-8-21-14-5-4-11(16)9-13(14)17/h3-5,9H,2,6-8,10H2,1H3
InChIKeyCVXARBADKDSKGX-UHFFFAOYSA-N
XLogP3.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 154319373
[1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
CID 70421830
[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate
CID 91459026
1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 17358154
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
2-(2,4-dichlorophenoxy)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075010
1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652287
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
2-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683883
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
CID 108880979

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
The IUPAC name of [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate (CID 70420726) is [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate.
What is the SMILES notation for [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
The canonical SMILES for [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate is COC(=O)OC1=CCCN(CCOc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
The InChIKey is CVXARBADKDSKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c1-20-15(19)22-12-3-2-6-18(10-12)7-8-21-14-5-4-11(16)9-13(14)17/h3-5,9H,2,6-8,10H2,1H3.
What are the key properties of [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
[1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate has a molecular weight of 346.21 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate is sourced from PubChem (CID 70420726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).