2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene

C20H23NO6 — CID 2292021

IUPAC2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCOCCOc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C20H23NO6/c1-3-6-16-9-10-19(20(15-16)24-2)27-14-12-25-11-13-26-18-8-5-4-7-17(18)21(22)23/h3-5,7-10,15H,1,6,11-14H2,2H3
InChIKeyQUCQPZWXIXCEBC-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.81
Rot. Bonds12

About 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene

2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene (PubChem CID 2292021) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene.

Molecular Properties

Compound Name2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene
PubChem CID2292021
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCOCCOc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C20H23NO6/c1-3-6-16-9-10-19(20(15-16)24-2)27-14-12-25-11-13-26-18-8-5-4-7-17(18)21(22)23/h3-5,7-10,15H,1,6,11-14H2,2H3
InChIKeyQUCQPZWXIXCEBC-UHFFFAOYSA-N
XLogP3.81
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene?
The IUPAC name of 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene (CID 2292021) is 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene.
What is the SMILES notation for 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene?
The canonical SMILES for 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene is C=CCc1ccc(OCCOCCOc2ccccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene?
The InChIKey is QUCQPZWXIXCEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-6-16-9-10-19(20(15-16)24-2)27-14-12-25-11-13-26-18-8-5-4-7-17(18)21(22)23/h3-5,7-10,15H,1,6,11-14H2,2H3.
What are the key properties of 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene?
2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene has a molecular weight of 373.41 g/mol, XLogP of 3.81, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]-4-prop-2-enylbenzene is sourced from PubChem (CID 2292021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).