1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene

C15H14FNO4 — CID 64853757

IUPAC1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1cc(C)ccc1F
InChIInChI=1S/C15H14FNO4/c1-10-3-5-13(16)15(7-10)21-9-11-8-12(17(18)19)4-6-14(11)20-2/h3-8H,9H2,1-2H3
InChIKeyHCXREUVHQADHJM-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.63
Rot. Bonds5

About 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene

1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene (PubChem CID 64853757) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene.

Molecular Properties

Compound Name1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
PubChem CID64853757
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1cc(C)ccc1F
InChIInChI=1S/C15H14FNO4/c1-10-3-5-13(16)15(7-10)21-9-11-8-12(17(18)19)4-6-14(11)20-2/h3-8H,9H2,1-2H3
InChIKeyHCXREUVHQADHJM-UHFFFAOYSA-N
XLogP3.63
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.63
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-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 114672725
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556
1-[3-[(2-fluoro-4-nitrophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 46484681
2-[(3-bromo-5-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 81314082
2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
CID 114382699
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
1-chloro-2-[(2,5-difluorophenoxy)methyl]-4-nitrobenzene
CID 63269550
2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 60656846
2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene
CID 112842745
4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
CID 43212533

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene?
The IUPAC name of 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene (CID 64853757) is 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene.
What is the SMILES notation for 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene?
The canonical SMILES for 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene is COc1ccc([N+](=O)[O-])cc1COc1cc(C)ccc1F.
What is the InChIKey of 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene?
The InChIKey is HCXREUVHQADHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-10-3-5-13(16)15(7-10)21-9-11-8-12(17(18)19)4-6-14(11)20-2/h3-8H,9H2,1-2H3.
What are the key properties of 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene?
1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene has a molecular weight of 291.28 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene is sourced from PubChem (CID 64853757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).