[1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate

C12H15Cl2NO4 — CID 175407279

IUPAC[1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate
SMILESCCC(OCOC)(OC(N)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO4/c1-3-12(18-7-17-2,19-11(15)16)10-8(13)5-4-6-9(10)14/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeySOOZFFYBXYOOKD-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.27
Rot. Bonds6

About [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate

[1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate (PubChem CID 175407279) has the molecular formula C12H15Cl2NO4 and a molecular weight of 308.16 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate
PubChem CID175407279
Molecular FormulaC12H15Cl2NO4
Molecular Weight308.16 g/mol
Exact Mass307.04
IUPAC Name[1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate
SMILESCCC(OCOC)(OC(N)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO4/c1-3-12(18-7-17-2,19-11(15)16)10-8(13)5-4-6-9(10)14/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeySOOZFFYBXYOOKD-UHFFFAOYSA-N
XLogP3.27
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-(2,4-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407141
[1-(3-iodophenyl)-1-methoxypropyl] carbamate
CID 175407209
methoxymethyl 2-amino-6-chlorobenzoate
CID 65364299
2-(2-chlorophenyl)ethyl carbamate;methoxymethanol
CID 144705844
[(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate
CID 134294946
[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate
CID 175520847
[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate
CID 175407056
methyl 2-chloro-6-(methoxymethoxy)benzoate
CID 139356689
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
ethyl 4-[2-(2-aminobutan-2-yl)-3-chlorophenyl]benzoate
CID 138970821
2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid
CID 55079550
2-[(2,6-dichlorophenyl)methyl]-2-ethoxycarbonylbutanoic acid
CID 103974448

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate?
The IUPAC name of [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate (CID 175407279) is [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate.
What is the SMILES notation for [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate?
The canonical SMILES for [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate is CCC(OCOC)(OC(N)=O)c1c(Cl)cccc1Cl.
What is the InChIKey of [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate?
The InChIKey is SOOZFFYBXYOOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4/c1-3-12(18-7-17-2,19-11(15)16)10-8(13)5-4-6-9(10)14/h4-6H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate?
[1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate has a molecular weight of 308.16 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate is sourced from PubChem (CID 175407279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).