1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene

C14H12FNO3 — CID 54506157

IUPAC1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene
SMILESCCOc1cccc(-c2ccc(F)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12FNO3/c1-2-19-12-5-3-4-10(8-12)13-7-6-11(15)9-14(13)16(17)18/h3-9H,2H2,1H3
InChIKeyYFVZSOHUMHPDND-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.80
Rot. Bonds4

About 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene

1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene (PubChem CID 54506157) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene
PubChem CID54506157
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene
SMILESCCOc1cccc(-c2ccc(F)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12FNO3/c1-2-19-12-5-3-4-10(8-12)13-7-6-11(15)9-14(13)16(17)18/h3-9H,2H2,1H3
InChIKeyYFVZSOHUMHPDND-UHFFFAOYSA-N
XLogP3.80
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
4-ethoxy-2-nitro-1-phenylbenzene
CID 165358913
4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
CID 67753587
4-(3-ethoxyphenyl)-2-nitrobenzoic acid
CID 53226326
2-(3-ethoxyphenyl)-6-fluoroaniline
CID 107602864
4-tert-butyl-2-(3-ethoxyphenyl)-1-fluorobenzene
CID 58049401
1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390
1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
CID 46314619
2-ethoxy-1,5-difluoro-3-nitrobenzene
CID 121228440
2-(3-ethoxyphenyl)aniline
CID 57482711
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
4-[(3-ethoxyphenoxy)methyl]-2-nitroaniline
CID 62335610

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene?
The IUPAC name of 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene (CID 54506157) is 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene.
What is the SMILES notation for 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene?
The canonical SMILES for 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene is CCOc1cccc(-c2ccc(F)cc2[N+](=O)[O-])c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene?
The InChIKey is YFVZSOHUMHPDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-2-19-12-5-3-4-10(8-12)13-7-6-11(15)9-14(13)16(17)18/h3-9H,2H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene?
1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene has a molecular weight of 261.25 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene is sourced from PubChem (CID 54506157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).