2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene

C16H17NO4 — CID 60656846

IUPAC2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
SMILESCCc1ccc(OCc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C16H17NO4/c1-3-12-4-7-15(8-5-12)21-11-13-10-14(17(18)19)6-9-16(13)20-2/h4-10H,3,11H2,1-2H3
InChIKeyNCFQMTFSBTYPGG-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.74
Rot. Bonds6

About 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene

2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene (PubChem CID 60656846) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene.

Molecular Properties

Compound Name2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
PubChem CID60656846
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
SMILESCCc1ccc(OCc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C16H17NO4/c1-3-12-4-7-15(8-5-12)21-11-13-10-14(17(18)19)6-9-16(13)20-2/h4-10H,3,11H2,1-2H3
InChIKeyNCFQMTFSBTYPGG-UHFFFAOYSA-N
XLogP3.74
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
CID 43212533
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
2-[(3-bromo-5-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 81314082
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556
1-bromo-4,5-dimethoxy-2-[(4-nitrophenoxy)methyl]benzene
CID 8864507
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
CID 168529604
2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326
1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
1-methoxy-2-(2-methylpropoxymethyl)-4-nitrobenzene
CID 91621448

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene?
The IUPAC name of 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene (CID 60656846) is 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene.
What is the SMILES notation for 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene?
The canonical SMILES for 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene is CCc1ccc(OCc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene?
The InChIKey is NCFQMTFSBTYPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-12-4-7-15(8-5-12)21-11-13-10-14(17(18)19)6-9-16(13)20-2/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene?
2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene has a molecular weight of 287.32 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene is sourced from PubChem (CID 60656846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).