1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene

C14H11ClFNO3 — CID 80752060

IUPAC1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene
SMILESCCc1cc(Oc2cc(F)cc([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C14H11ClFNO3/c1-2-9-5-12(3-4-14(9)15)20-13-7-10(16)6-11(8-13)17(18)19/h3-8H,2H2,1H3
InChIKeyPASOZXDSQQOEGH-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.74
Rot. Bonds4

About 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene

1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene (PubChem CID 80752060) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene
PubChem CID80752060
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene
SMILESCCc1cc(Oc2cc(F)cc([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C14H11ClFNO3/c1-2-9-5-12(3-4-14(9)15)20-13-7-10(16)6-11(8-13)17(18)19/h3-8H,2H2,1H3
InChIKeyPASOZXDSQQOEGH-UHFFFAOYSA-N
XLogP4.74
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 54.74
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

1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene
CID 80751937
1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531241
2-(4-chloro-3-ethylphenoxy)-5-nitroaniline
CID 63458584
1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164
1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789
2-fluoro-4-(3-fluoro-5-nitrophenoxy)benzonitrile
CID 80752891
1-fluoro-3-[3-(methoxymethyl)phenoxy]-5-nitrobenzene
CID 80752391
2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine
CID 103174627
1-fluoro-3-(2-methylbutan-2-yloxy)-5-nitrobenzene
CID 80752056
3-(3,5-difluorophenoxy)-N-ethyl-5-nitroaniline
CID 80880134

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene?
The IUPAC name of 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene (CID 80752060) is 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene.
What is the SMILES notation for 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene?
The canonical SMILES for 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene is CCc1cc(Oc2cc(F)cc([N+](=O)[O-])c2)ccc1Cl.
What is the InChIKey of 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene?
The InChIKey is PASOZXDSQQOEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-2-9-5-12(3-4-14(9)15)20-13-7-10(16)6-11(8-13)17(18)19/h3-8H,2H2,1H3.
What are the key properties of 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene?
1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene has a molecular weight of 295.70 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene is sourced from PubChem (CID 80752060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).