1-methyl-2-(2-methylphenoxy)-4-nitrobenzene

C14H13NO3 — CID 141213326

IUPAC1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
SMILESCc1ccccc1Oc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H13NO3/c1-10-5-3-4-6-13(10)18-14-9-12(15(16)17)8-7-11(14)2/h3-9H,1-2H3
InChIKeyFVPMLGZDNNWESK-UHFFFAOYSA-N
MW243.26 g/mol
LogP4.00
Rot. Bonds3

About 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene

1-methyl-2-(2-methylphenoxy)-4-nitrobenzene (PubChem CID 141213326) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
PubChem CID141213326
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
SMILESCc1ccccc1Oc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H13NO3/c1-10-5-3-4-6-13(10)18-14-9-12(15(16)17)8-7-11(14)2/h3-9H,1-2H3
InChIKeyFVPMLGZDNNWESK-UHFFFAOYSA-N
XLogP4.00
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(chloromethyl)phenoxy]-1-methyl-4-nitrobenzene
CID 63566430
1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-one
CID 115994725
(1R)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960584
(1S)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960585
2-bromo-6-(2-methyl-5-nitrophenoxy)benzoic acid
CID 114888658
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
1-(2-methyl-4-nitrophenoxy)naphthalene
CID 13245951
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
4-fluoro-2-(2-methyl-5-nitrophenoxy)benzoic acid
CID 107016608
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
1-methyl-2,4-dinitrobenzene;1,2-xylene
CID 88735463
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene?
The IUPAC name of 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene (CID 141213326) is 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene.
What is the SMILES notation for 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene?
The canonical SMILES for 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene is Cc1ccccc1Oc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene?
The InChIKey is FVPMLGZDNNWESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-5-3-4-6-13(10)18-14-9-12(15(16)17)8-7-11(14)2/h3-9H,1-2H3.
What are the key properties of 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene?
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene has a molecular weight of 243.26 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenoxy)-4-nitrobenzene is sourced from PubChem (CID 141213326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).