1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene

C11H14ClNO4 — CID 43350428

IUPAC1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene
SMILESCCOCCOCc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H14ClNO4/c1-2-16-5-6-17-8-9-7-10(13(14)15)3-4-11(9)12/h3-4,7H,2,5-6,8H2,1H3
InChIKeyCINXDANPRJUWCB-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.80
Rot. Bonds7

About 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene

1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene (PubChem CID 43350428) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene
PubChem CID43350428
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene
SMILESCCOCCOCc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H14ClNO4/c1-2-16-5-6-17-8-9-7-10(13(14)15)3-4-11(9)12/h3-4,7H,2,5-6,8H2,1H3
InChIKeyCINXDANPRJUWCB-UHFFFAOYSA-N
XLogP2.80
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(butoxymethyl)-1-chloro-4-nitrobenzene
CID 43267660
1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-4-nitrobenzene
CID 112587537
1-chloro-4-nitro-2-(3,3,3-trifluoropropoxymethyl)benzene
CID 82956634
1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine
CID 78993353
1-chloro-2-(cyclopentylmethoxymethyl)-4-nitrobenzene
CID 66321968
1-chloro-4-nitro-2-(pentan-2-yloxymethyl)benzene
CID 102981474
2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine
CID 62343808
N-[2-[(2-chloro-4-nitrophenyl)methoxy]ethyl]propan-1-amine
CID 62337246
1-chloro-2-[(2-methylphenoxy)methyl]-4-nitrobenzene
CID 43169195
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
N-methyl-4-nitro-2-(propoxymethyl)aniline
CID 62195376
1-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-nitrobenzene
CID 102722054

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene?
The IUPAC name of 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene (CID 43350428) is 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene.
What is the SMILES notation for 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene?
The canonical SMILES for 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene is CCOCCOCc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene?
The InChIKey is CINXDANPRJUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-2-16-5-6-17-8-9-7-10(13(14)15)3-4-11(9)12/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene?
1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene has a molecular weight of 259.69 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene is sourced from PubChem (CID 43350428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).