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

C18H19NO5 — CID 2289173

IUPAC2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C18H19NO5/c1-3-4-14-5-10-17(18(13-14)22-2)24-12-11-23-16-8-6-15(7-9-16)19(20)21/h3,5-10,13H,1,4,11-12H2,2H3
InChIKeyUIQAHKAKXDUJHE-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.79
Rot. Bonds9

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

2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene (PubChem CID 2289173) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene.

Molecular Properties

Compound Name2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene
PubChem CID2289173
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C18H19NO5/c1-3-4-14-5-10-17(18(13-14)22-2)24-12-11-23-16-8-6-15(7-9-16)19(20)21/h3,5-10,13H,1,4,11-12H2,2H3
InChIKeyUIQAHKAKXDUJHE-UHFFFAOYSA-N
XLogP3.79
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzaldehyde
CID 2293777
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
2-(3,4-dimethoxyphenyl)-N-methyl-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 18789949
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
CID 2283204
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile
CID 112828122
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
(2-methoxy-4-prop-2-enylphenyl) 4-methoxy-2-nitrobenzenesulfonate
CID 31071954
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982
N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
CID 6460350

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene?
The IUPAC name of 2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene (CID 2289173) is 2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene.
What is the SMILES notation for 2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene?
The canonical SMILES for 2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene is C=CCc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)c(OC)c1.
What is the InChIKey of 2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene?
The InChIKey is UIQAHKAKXDUJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-4-14-5-10-17(18(13-14)22-2)24-12-11-23-16-8-6-15(7-9-16)19(20)21/h3,5-10,13H,1,4,11-12H2,2H3.
What are the key properties of 2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene?
2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene has a molecular weight of 329.35 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene is sourced from PubChem (CID 2289173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).