4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene

C11H14ClNO5 — CID 103201593

IUPAC4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
SMILESCOc1ccc(OCCOCCCl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClNO5/c1-16-11-3-2-9(8-10(11)13(14)15)18-7-6-17-5-4-12/h2-3,8H,4-7H2,1H3
InChIKeyCGARFYIAXMZATJ-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.24
Rot. Bonds8

About 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene

4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene (PubChem CID 103201593) has the molecular formula C11H14ClNO5 and a molecular weight of 275.69 g/mol. Its IUPAC name is 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
PubChem CID103201593
Molecular FormulaC11H14ClNO5
Molecular Weight275.69 g/mol
Exact Mass275.06
IUPAC Name4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
SMILESCOc1ccc(OCCOCCCl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClNO5/c1-16-11-3-2-9(8-10(11)13(14)15)18-7-6-17-5-4-12/h2-3,8H,4-7H2,1H3
InChIKeyCGARFYIAXMZATJ-UHFFFAOYSA-N
XLogP2.24
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103202309
4-(4-methoxy-3-nitrophenoxy)butane-1-sulfonyl chloride
CID 103202297
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
4-(3,3-diethoxypropoxy)-1-methoxy-2-nitrobenzene
CID 103201867
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
tert-butyl 3-(4-methoxy-3-nitrophenoxy)propanoate
CID 103201539
N-[3-(2-chloroethoxy)propyl]-4-methoxy-3-nitrobenzamide
CID 106306591
4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene
CID 7714405
1-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methyl-2-nitrobenzene
CID 2284208
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene?
The IUPAC name of 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene (CID 103201593) is 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene.
What is the SMILES notation for 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene?
The canonical SMILES for 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene is COc1ccc(OCCOCCCl)cc1[N+](=O)[O-].
What is the InChIKey of 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene?
The InChIKey is CGARFYIAXMZATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5/c1-16-11-3-2-9(8-10(11)13(14)15)18-7-6-17-5-4-12/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene?
4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene has a molecular weight of 275.69 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene is sourced from PubChem (CID 103201593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).