1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene

C16H17NO4 — CID 60656948

IUPAC1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1ccc(C)cc1C
InChIInChI=1S/C16H17NO4/c1-11-4-6-15(12(2)8-11)21-10-13-9-14(17(18)19)5-7-16(13)20-3/h4-9H,10H2,1-3H3
InChIKeyIDRHJVRVEKFHCU-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.80
Rot. Bonds5

About 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene

1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene (PubChem CID 60656948) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
PubChem CID60656948
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1ccc(C)cc1C
InChIInChI=1S/C16H17NO4/c1-11-4-6-15(12(2)8-11)21-10-13-9-14(17(18)19)5-7-16(13)20-3/h4-9H,10H2,1-3H3
InChIKeyIDRHJVRVEKFHCU-UHFFFAOYSA-N
XLogP3.80
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.80
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

1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556
2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 60656846
2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 114672725
4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
CID 43212533
(2-methoxy-5-nitrophenyl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 42983490
2-[[2-(4-methoxyphenyl)-4-nitrophenoxy]methyl]-1,4-dimethylbenzene
CID 7519959
6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one
CID 2913583
1-methoxy-2-(2-methylpropoxymethyl)-4-nitrobenzene
CID 91621448
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 64764424

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene?
The IUPAC name of 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene (CID 60656948) is 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene?
The canonical SMILES for 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene is COc1ccc([N+](=O)[O-])cc1COc1ccc(C)cc1C.
What is the InChIKey of 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene?
The InChIKey is IDRHJVRVEKFHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11-4-6-15(12(2)8-11)21-10-13-9-14(17(18)19)5-7-16(13)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene?
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene has a molecular weight of 287.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene is sourced from PubChem (CID 60656948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).