1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene

C15H13F2NO4 — CID 112828246

IUPAC1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene
SMILESCc1cccc(OCc2ccccc2OC(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C15H13F2NO4/c1-10-5-4-8-13(14(10)18(19)20)21-9-11-6-2-3-7-12(11)22-15(16)17/h2-8,15H,9H2,1H3
InChIKeyDJPILVQGIRBJHW-UHFFFAOYSA-N
MW309.27 g/mol
LogP4.08
Rot. Bonds6

About 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene

1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene (PubChem CID 112828246) has the molecular formula C15H13F2NO4 and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene
PubChem CID112828246
Molecular FormulaC15H13F2NO4
Molecular Weight309.27 g/mol
Exact Mass309.08
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene
SMILESCc1cccc(OCc2ccccc2OC(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C15H13F2NO4/c1-10-5-4-8-13(14(10)18(19)20)21-9-11-6-2-3-7-12(11)22-15(16)17/h2-8,15H,9H2,1H3
InChIKeyDJPILVQGIRBJHW-UHFFFAOYSA-N
XLogP4.08
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluoro-3-[(3-methyl-2-nitrophenoxy)methyl]benzonitrile
CID 103912351
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
[2-(difluoromethoxy)phenyl]methyl 2-methyl-6-nitrobenzoate
CID 18166530
N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466380
1-(2,2-dimethoxyethoxy)-3-methyl-2-nitrobenzene
CID 66222116
3-methyl-1-(3-methyl-2-nitrophenoxy)butan-2-ol
CID 114249801
1-methyl-2-nitro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 84590418
1-(3-methoxypropoxy)-3-methyl-2-nitrobenzene
CID 75505868
2-(3-methyl-2-nitrophenoxy)acetonitrile
CID 60772568
1-methyl-2-nitro-3-prop-2-ynoxybenzene
CID 60772465
2-(3-methyl-2-nitrophenoxy)acetic acid
CID 43437973
2-hydroxy-3-(3-methyl-2-nitrophenoxy)propanoic acid
CID 3030918

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene (CID 112828246) is 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene is Cc1cccc(OCc2ccccc2OC(F)F)c1[N+](=O)[O-].
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene?
The InChIKey is DJPILVQGIRBJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4/c1-10-5-4-8-13(14(10)18(19)20)21-9-11-6-2-3-7-12(11)22-15(16)17/h2-8,15H,9H2,1H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene?
1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene has a molecular weight of 309.27 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene is sourced from PubChem (CID 112828246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).