[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate

C10H12N2O6 — CID 175523343

IUPAC[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate
SMILESCOCCOc1cccc(OC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O6/c1-16-5-6-17-7-3-2-4-8(18-10(11)13)9(7)12(14)15/h2-4H,5-6H2,1H3,(H2,11,13)
InChIKeyZLZISTABCVWURY-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.08
Rot. Bonds6

About [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate

[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate (PubChem CID 175523343) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate.

Molecular Properties

Compound Name[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate
PubChem CID175523343
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate
SMILESCOCCOc1cccc(OC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O6/c1-16-5-6-17-7-3-2-4-8(18-10(11)13)9(7)12(14)15/h2-4H,5-6H2,1H3,(H2,11,13)
InChIKeyZLZISTABCVWURY-UHFFFAOYSA-N
XLogP1.08
TPSA113.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
3-(2-methoxyethoxy)-2-nitrobenzoic acid
CID 69405433
1-(3-methoxypropoxy)-3-methyl-2-nitrobenzene
CID 75505868
3-(methoxymethoxy)-2-nitroaniline
CID 91619111
2-nitro-1,3-dioctoxybenzene
CID 537243
3-(2-ethoxyethoxy)-2-nitroaniline
CID 80858319
methyl 2-amino-4-(3-methyl-2-nitrophenoxy)butanoate
CID 55143183
N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
CID 142721434
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
2-(3-ethoxy-2-nitrophenyl)acetamide
CID 69300163
1-methyl-2-nitro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 84590418
1-[2-(4-fluorophenoxy)ethoxy]-3-methyl-2-nitrobenzene
CID 112828309

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate?
The IUPAC name of [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate (CID 175523343) is [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate.
What is the SMILES notation for [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate?
The canonical SMILES for [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate is COCCOc1cccc(OC(N)=O)c1[N+](=O)[O-].
What is the InChIKey of [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate?
The InChIKey is ZLZISTABCVWURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-16-5-6-17-7-3-2-4-8(18-10(11)13)9(7)12(14)15/h2-4H,5-6H2,1H3,(H2,11,13).
What are the key properties of [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate?
[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate has a molecular weight of 256.21 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethoxy)-2-nitrophenyl] carbamate is sourced from PubChem (CID 175523343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).