1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene

C22H21NO6 — CID 142794424

IUPAC1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
SMILESCOc1ccccc1COc1ccc([N+](=O)[O-])cc1OCc1ccccc1OC
InChIInChI=1S/C22H21NO6/c1-26-19-9-5-3-7-16(19)14-28-21-12-11-18(23(24)25)13-22(21)29-15-17-8-4-6-10-20(17)27-2/h3-13H,14-15H2,1-2H3
InChIKeyRGMDODRLUZXLNW-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.77
Rot. Bonds9

About 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene

1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene (PubChem CID 142794424) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene.

Molecular Properties

Compound Name1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
PubChem CID142794424
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
SMILESCOc1ccccc1COc1ccc([N+](=O)[O-])cc1OCc1ccccc1OC
InChIInChI=1S/C22H21NO6/c1-26-19-9-5-3-7-16(19)14-28-21-12-11-18(23(24)25)13-22(21)29-15-17-8-4-6-10-20(17)27-2/h3-13H,14-15H2,1-2H3
InChIKeyRGMDODRLUZXLNW-UHFFFAOYSA-N
XLogP4.77
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
1-methoxy-4-nitro-2-phenylmethoxybenzene;4-methoxy-3-phenylmethoxyaniline
CID 159845208
2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine
CID 106994414
2,6-dichloro-3-[(2-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
CID 61079159
1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene?
The IUPAC name of 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene (CID 142794424) is 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene.
What is the SMILES notation for 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene?
The canonical SMILES for 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene is COc1ccccc1COc1ccc([N+](=O)[O-])cc1OCc1ccccc1OC.
What is the InChIKey of 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene?
The InChIKey is RGMDODRLUZXLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-26-19-9-5-3-7-16(19)14-28-21-12-11-18(23(24)25)13-22(21)29-15-17-8-4-6-10-20(17)27-2/h3-13H,14-15H2,1-2H3.
What are the key properties of 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene?
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene has a molecular weight of 395.41 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene is sourced from PubChem (CID 142794424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).