[3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate

C11H14ClNO4 — CID 54442292

IUPAC[3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(OCCCl)c1OC
InChIInChI=1S/C11H14ClNO4/c1-13-11(14)17-9-5-3-4-8(10(9)15-2)16-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyWOZDYICOSVBGOM-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.03
Rot. Bonds5

About [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate

[3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate (PubChem CID 54442292) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate
PubChem CID54442292
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name[3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(OCCCl)c1OC
InChIInChI=1S/C11H14ClNO4/c1-13-11(14)17-9-5-3-4-8(10(9)15-2)16-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyWOZDYICOSVBGOM-UHFFFAOYSA-N
XLogP2.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

naphthalen-1-yl N-methylcarbamate
CID 23447097
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
(8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate
CID 19872966
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(2,3-dimethoxyphenyl) N-(2-cyanoethyl)carbamate
CID 116819885
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
(2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate
CID 18922280
2-(2,3-dimethoxyphenoxy)-N'-methylacetohydrazide
CID 116820693
[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate
CID 54093839
[3-(2-chloroethoxy)-4,5-dimethoxyphenyl]carbamic acid
CID 68890215
(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
CID 67865616

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate?
The IUPAC name of [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate (CID 54442292) is [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate.
What is the SMILES notation for [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate?
The canonical SMILES for [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate is CNC(=O)Oc1cccc(OCCCl)c1OC.
What is the InChIKey of [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate?
The InChIKey is WOZDYICOSVBGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-5-3-4-8(10(9)15-2)16-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14).
What are the key properties of [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate?
[3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate has a molecular weight of 259.69 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate is sourced from PubChem (CID 54442292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).