1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene

C14H12FNO3 — CID 22414647

IUPAC1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO3/c1-10-7-14(12(15)8-13(10)16(17)18)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyNPHKOAHNJIKDMM-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.62
Rot. Bonds4

About 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene

1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene (PubChem CID 22414647) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
PubChem CID22414647
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO3/c1-10-7-14(12(15)8-13(10)16(17)18)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyNPHKOAHNJIKDMM-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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

5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine
CID 114416743
2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine
CID 114416740
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
5-fluoro-1-methyl-2-nitro-3-phenylmethoxybenzene;1,3,5-trifluoro-2-nitrobenzene
CID 158475219
1,5-difluoro-3-nitro-2-phenylmethoxybenzene
CID 68842689
1,3,4-trifluoro-2-nitro-5-phenylmethoxybenzene
CID 146529231
2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethoxy]ethanethiol
CID 114418329
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
1-amino-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
CID 114416438
1-fluoro-4-methyl-5-nitro-2-(trifluoromethoxy)benzene
CID 134628194
4-bromo-2-nitro-1-phenylmethoxybenzene
CID 11278242
2-methyl-1-nitro-4-(phenoxymethyl)benzene
CID 156730430

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene?
The IUPAC name of 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene (CID 22414647) is 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene.
What is the SMILES notation for 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene?
The canonical SMILES for 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene is Cc1cc(OCc2ccccc2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene?
The InChIKey is NPHKOAHNJIKDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-10-7-14(12(15)8-13(10)16(17)18)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene?
1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene has a molecular weight of 261.25 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene is sourced from PubChem (CID 22414647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).