1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene

C14H12FNO3 — CID 80752885

IUPAC1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
SMILESCc1ccc(Oc2cc(F)cc([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C14H12FNO3/c1-9-3-4-14(10(2)5-9)19-13-7-11(15)6-12(8-13)16(17)18/h3-8H,1-2H3
InChIKeyKKIRKMNYORKXPC-UHFFFAOYSA-N
MW261.25 g/mol
LogP4.14
Rot. Bonds3

About 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene

1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene (PubChem CID 80752885) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
PubChem CID80752885
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
SMILESCc1ccc(Oc2cc(F)cc([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C14H12FNO3/c1-9-3-4-14(10(2)5-9)19-13-7-11(15)6-12(8-13)16(17)18/h3-8H,1-2H3
InChIKeyKKIRKMNYORKXPC-UHFFFAOYSA-N
XLogP4.14
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 54.14
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-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164
1-(3-fluoro-5-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 80753064
2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine
CID 103174627
2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene
CID 80751937
1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene
CID 80752387
5-bromo-2-(3-fluoro-5-nitrophenoxy)benzoic acid
CID 104629583
ethyl 2-[4-(3-fluoro-5-nitrophenoxy)-2-methylphenoxy]-2-methylpropanoate
CID 58853834
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
3-methyl-5-(2-methyl-4-nitrophenoxy)phenol
CID 107680644

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene?
The IUPAC name of 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene (CID 80752885) is 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene?
The canonical SMILES for 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene is Cc1ccc(Oc2cc(F)cc([N+](=O)[O-])c2)c(C)c1.
What is the InChIKey of 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene?
The InChIKey is KKIRKMNYORKXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-9-3-4-14(10(2)5-9)19-13-7-11(15)6-12(8-13)16(17)18/h3-8H,1-2H3.
What are the key properties of 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene?
1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene has a molecular weight of 261.25 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene is sourced from PubChem (CID 80752885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).