1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene

C14H11ClFNO3 — CID 64854337

IUPAC1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene
SMILESCc1ccc(F)c(OCc2c(Cl)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11ClFNO3/c1-9-5-6-12(16)14(7-9)20-8-10-11(15)3-2-4-13(10)17(18)19/h2-7H,8H2,1H3
InChIKeyANNAFKDFMHIRNX-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.27
Rot. Bonds4

About 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene

1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene (PubChem CID 64854337) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene
PubChem CID64854337
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene
SMILESCc1ccc(F)c(OCc2c(Cl)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11ClFNO3/c1-9-5-6-12(16)14(7-9)20-8-10-11(15)3-2-4-13(10)17(18)19/h2-7H,8H2,1H3
InChIKeyANNAFKDFMHIRNX-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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

[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine
CID 63745768
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene
CID 144860819
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-nitrobenzene
CID 107691151
2-[(2-fluoro-5-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352413
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-1-chloro-3-nitrobenzene
CID 107691546
2-[(3-bromo-4-fluorophenoxy)methyl]-1-chloro-3-nitrobenzene
CID 83232062
4-chloro-2-[(2-chloro-6-nitrophenyl)methoxy]benzonitrile
CID 114322777
3-chloro-4-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 63746153
1-chloro-3-nitro-2-(phenoxymethyl)benzene
CID 64765077
2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
CID 114382699
[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79156359
[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 62116426

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene?
The IUPAC name of 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene (CID 64854337) is 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene.
What is the SMILES notation for 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene?
The canonical SMILES for 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene is Cc1ccc(F)c(OCc2c(Cl)cccc2[N+](=O)[O-])c1.
What is the InChIKey of 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene?
The InChIKey is ANNAFKDFMHIRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-9-5-6-12(16)14(7-9)20-8-10-11(15)3-2-4-13(10)17(18)19/h2-7H,8H2,1H3.
What are the key properties of 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene?
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene has a molecular weight of 295.70 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene is sourced from PubChem (CID 64854337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).