4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene

C15H15NO3 — CID 173081709

IUPAC4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene
SMILESCOc1ccc(C)c(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H15NO3/c1-11-3-8-15(19-2)10-13(11)9-12-4-6-14(7-5-12)16(17)18/h3-8,10H,9H2,1-2H3
InChIKeyQVCSAYOCXJAPMC-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.50
Rot. Bonds4

About 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene

4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene (PubChem CID 173081709) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene.

Molecular Properties

Compound Name4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene
PubChem CID173081709
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene
SMILESCOc1ccc(C)c(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H15NO3/c1-11-3-8-15(19-2)10-13(11)9-12-4-6-14(7-5-12)16(17)18/h3-8,10H,9H2,1-2H3
InChIKeyQVCSAYOCXJAPMC-UHFFFAOYSA-N
XLogP3.50
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.50
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

ethane;2-[(3-methoxyphenyl)methyl]-1-methyl-4-nitrobenzene
CID 142085537
1-chloro-2-[(4-methoxyphenyl)methyl]-4-nitrobenzene;methane
CID 159735063
N-methyl-1-[4-methyl-3-(4-nitrophenoxy)phenyl]methanamine
CID 105407116
bis[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl] carbonate
CID 22729889
1-[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]pyrrole
CID 122401185
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175
2-(4-methoxy-2-methylphenyl)-3-(4-nitrophenyl)propanoic acid
CID 112721183
N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine
CID 43065807
1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-nitrobenzene
CID 145045156
1-bromo-4-methoxy-2-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 65325750
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene?
The IUPAC name of 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene (CID 173081709) is 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene.
What is the SMILES notation for 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene?
The canonical SMILES for 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene is COc1ccc(C)c(Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene?
The InChIKey is QVCSAYOCXJAPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-3-8-15(19-2)10-13(11)9-12-4-6-14(7-5-12)16(17)18/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene?
4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene has a molecular weight of 257.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene is sourced from PubChem (CID 173081709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).