1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene

C14H13NO3 — CID 10868487

IUPAC1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
SMILESCOc1ccccc1-c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H13NO3/c1-10-11(7-5-8-13(10)15(16)17)12-6-3-4-9-14(12)18-2/h3-9H,1-2H3
InChIKeySIOZXTWOWKPNQN-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.58
Rot. Bonds3

About 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene

1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene (PubChem CID 10868487) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
PubChem CID10868487
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
SMILESCOc1ccccc1-c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H13NO3/c1-10-11(7-5-8-13(10)15(16)17)12-6-3-4-9-14(12)18-2/h3-9H,1-2H3
InChIKeySIOZXTWOWKPNQN-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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

1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
CID 22147723
methyl 2-(2-methoxyphenyl)-3-nitrobenzoate
CID 22740443
4-[(2-methoxyphenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 4241911
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole
CID 59843298
4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
CID 19604448
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55646360
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide
CID 19219294
[3-(2-methoxyphenyl)-4-oxochromen-7-yl] 2-methyl-3-nitrobenzoate
CID 23937048
2-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 134621077

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene?
The IUPAC name of 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene (CID 10868487) is 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene?
The canonical SMILES for 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene is COc1ccccc1-c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene?
The InChIKey is SIOZXTWOWKPNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-11(7-5-8-13(10)15(16)17)12-6-3-4-9-14(12)18-2/h3-9H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene?
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene has a molecular weight of 243.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene is sourced from PubChem (CID 10868487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).