1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene

C15H15NO4 — CID 86102481

IUPAC1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene
SMILESCOc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1C
InChIInChI=1S/C15H15NO4/c1-11-14(19-2)9-8-13(16(17)18)15(11)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyWYQPHUPQPVHRAJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.49
Rot. Bonds5

About 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene

1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene (PubChem CID 86102481) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene
PubChem CID86102481
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene
SMILESCOc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1C
InChIInChI=1S/C15H15NO4/c1-11-14(19-2)9-8-13(16(17)18)15(11)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyWYQPHUPQPVHRAJ-UHFFFAOYSA-N
XLogP3.49
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.49
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'}

Analyze 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene?
The IUPAC name of 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene (CID 86102481) is 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene?
The canonical SMILES for 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene is COc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1C.
What is the InChIKey of 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene?
The InChIKey is WYQPHUPQPVHRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11-14(19-2)9-8-13(16(17)18)15(11)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene?
1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene has a molecular weight of 273.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-nitro-3-phenylmethoxybenzene is sourced from PubChem (CID 86102481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).