methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride

C14H18Cl3NO4 — CID 70084406

IUPACmethyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride
SMILESCOC(=O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl.Cl
InChIInChI=1S/C14H17Cl2NO4.ClH/c1-19-14(18)12-10(15)2-3-11(13(12)16)21-9-6-17-4-7-20-8-5-17;/h2-3H,4-9H2,1H3;1H
InChIKeyHAZRKGACEIBNAL-UHFFFAOYSA-N
MW370.66 g/mol
LogP2.91
Rot. Bonds5

About methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride

methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride (PubChem CID 70084406) has the molecular formula C14H18Cl3NO4 and a molecular weight of 370.66 g/mol. Its IUPAC name is methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride
PubChem CID70084406
Molecular FormulaC14H18Cl3NO4
Molecular Weight370.66 g/mol
Exact Mass369.03
IUPAC Namemethyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride
SMILESCOC(=O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl.Cl
InChIInChI=1S/C14H17Cl2NO4.ClH/c1-19-14(18)12-10(15)2-3-11(13(12)16)21-9-6-17-4-7-20-8-5-17;/h2-3H,4-9H2,1H3;1H
InChIKeyHAZRKGACEIBNAL-UHFFFAOYSA-N
XLogP2.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.66
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 54055500
cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride
CID 173253218
2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoic acid;hydrochloride
CID 67768016
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
4-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122127082
N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-morpholin-4-ylethoxy)benzamide
CID 134195679

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride?
The IUPAC name of methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride (CID 70084406) is methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride.
What is the SMILES notation for methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride?
The canonical SMILES for methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride is COC(=O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl.Cl.
What is the InChIKey of methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride?
The InChIKey is HAZRKGACEIBNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4.ClH/c1-19-14(18)12-10(15)2-3-11(13(12)16)21-9-6-17-4-7-20-8-5-17;/h2-3H,4-9H2,1H3;1H.
What are the key properties of methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride?
methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride has a molecular weight of 370.66 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride is sourced from PubChem (CID 70084406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).