2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene

C20H33NO10 — CID 118410599

IUPAC2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
SMILESCOCCOCCOCCOc1ccc([N+](=O)[O-])c(OCCOCCOCCOC)c1
InChIInChI=1S/C20H33NO10/c1-24-5-7-26-9-11-28-13-15-30-18-3-4-19(21(22)23)20(17-18)31-16-14-29-12-10-27-8-6-25-2/h3-4,17H,5-16H2,1-2H3
InChIKeyUDZBAPRJNMQBIW-UHFFFAOYSA-N
MW447.48 g/mol
LogP1.71
Rot. Bonds21

About 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene

2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene (PubChem CID 118410599) has the molecular formula C20H33NO10 and a molecular weight of 447.48 g/mol. Its IUPAC name is 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene.

Molecular Properties

Compound Name2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
PubChem CID118410599
Molecular FormulaC20H33NO10
Molecular Weight447.48 g/mol
Exact Mass447.21
IUPAC Name2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
SMILESCOCCOCCOCCOc1ccc([N+](=O)[O-])c(OCCOCCOCCOC)c1
InChIInChI=1S/C20H33NO10/c1-24-5-7-26-9-11-28-13-15-30-18-3-4-19(21(22)23)20(17-18)31-16-14-29-12-10-27-8-6-25-2/h3-4,17H,5-16H2,1-2H3
InChIKeyUDZBAPRJNMQBIW-UHFFFAOYSA-N
XLogP1.71
TPSA116.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

5-[2-(2-methoxyethoxy)ethoxy]-2-nitrobenzoic acid
CID 104560470
5-[3-(2-methoxyethoxy)propoxy]-2-nitrobenzonitrile
CID 103402382
[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine
CID 62115319
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitrobenzoyl chloride
CID 71417509
methyl 3-(2-butoxyethoxy)-4-nitrobenzoate
CID 115587323
2-(3-methoxy-4-nitrophenoxy)ethanol
CID 66759614
2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
CID 102702616
methyl 3-(4-methoxybutoxy)-4-nitrobenzoate
CID 23286730
3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102702530
2-fluoro-5-[2-(2-methoxyethoxy)ethoxy]-4-nitrobenzoic acid
CID 104699239
2-[2-[2-[2-(3-methoxy-4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 170335133
4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
CID 103201593

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene?
The IUPAC name of 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene (CID 118410599) is 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene.
What is the SMILES notation for 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene?
The canonical SMILES for 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene is COCCOCCOCCOc1ccc([N+](=O)[O-])c(OCCOCCOCCOC)c1.
What is the InChIKey of 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene?
The InChIKey is UDZBAPRJNMQBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO10/c1-24-5-7-26-9-11-28-13-15-30-18-3-4-19(21(22)23)20(17-18)31-16-14-29-12-10-27-8-6-25-2/h3-4,17H,5-16H2,1-2H3.
What are the key properties of 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene?
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene has a molecular weight of 447.48 g/mol, XLogP of 1.71, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene is sourced from PubChem (CID 118410599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).