2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene

C16H17NO4 — CID 83044556

IUPAC2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1c(C)cccc1C
InChIInChI=1S/C16H17NO4/c1-11-5-4-6-12(2)16(11)21-10-13-9-14(17(18)19)7-8-15(13)20-3/h4-9H,10H2,1-3H3
InChIKeyPKMSRGXWVMRVQW-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.80
Rot. Bonds5

About 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene

2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene (PubChem CID 83044556) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
PubChem CID83044556
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1c(C)cccc1C
InChIInChI=1S/C16H17NO4/c1-11-5-4-6-12(2)16(11)21-10-13-9-14(17(18)19)7-8-15(13)20-3/h4-9H,10H2,1-3H3
InChIKeyPKMSRGXWVMRVQW-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

2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 60656846
4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
CID 43212533
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-nitroaniline
CID 83136857
6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one
CID 2913583
1-methoxy-2-(2-methylpropoxymethyl)-4-nitrobenzene
CID 91621448
4-nitro-2-[(2,4,6-trimethylphenoxy)methyl]aniline
CID 62188360
3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1332998
1-(bromomethyl)-2-[(2-bromo-4-nitrophenyl)methoxy]-3-methylbenzene
CID 115956850

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene (CID 83044556) is 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene is COc1ccc([N+](=O)[O-])cc1COc1c(C)cccc1C.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene?
The InChIKey is PKMSRGXWVMRVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11-5-4-6-12(2)16(11)21-10-13-9-14(17(18)19)7-8-15(13)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene?
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-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 2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 83044556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).