2,4-dimethoxy-1-(4-nitrophenyl)benzene

C14H13NO4 — CID 59205838

IUPAC2,4-dimethoxy-1-(4-nitrophenyl)benzene
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C14H13NO4/c1-18-12-7-8-13(14(9-12)19-2)10-3-5-11(6-4-10)15(16)17/h3-9H,1-2H3
InChIKeyHDROMIZSJSFQCL-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.28
Rot. Bonds4

About 2,4-dimethoxy-1-(4-nitrophenyl)benzene

2,4-dimethoxy-1-(4-nitrophenyl)benzene (PubChem CID 59205838) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2,4-dimethoxy-1-(4-nitrophenyl)benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-(4-nitrophenyl)benzene
PubChem CID59205838
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2,4-dimethoxy-1-(4-nitrophenyl)benzene
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C14H13NO4/c1-18-12-7-8-13(14(9-12)19-2)10-3-5-11(6-4-10)15(16)17/h3-9H,1-2H3
InChIKeyHDROMIZSJSFQCL-UHFFFAOYSA-N
XLogP3.28
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.28
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

4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole
CID 11537133
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
5-methoxy-2-(4-nitrophenyl)isoindole-1,3-dione
CID 68976074
2-(2,4-dimethoxyphenyl)-5-nitro-1,3-benzothiazole
CID 23085740
1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrole-2,5-diol
CID 91899191
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
(4-nitrophenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66574321

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-(4-nitrophenyl)benzene?
The IUPAC name of 2,4-dimethoxy-1-(4-nitrophenyl)benzene (CID 59205838) is 2,4-dimethoxy-1-(4-nitrophenyl)benzene.
What is the SMILES notation for 2,4-dimethoxy-1-(4-nitrophenyl)benzene?
The canonical SMILES for 2,4-dimethoxy-1-(4-nitrophenyl)benzene is COc1ccc(-c2ccc([N+](=O)[O-])cc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-(4-nitrophenyl)benzene?
The InChIKey is HDROMIZSJSFQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-12-7-8-13(14(9-12)19-2)10-3-5-11(6-4-10)15(16)17/h3-9H,1-2H3.
What are the key properties of 2,4-dimethoxy-1-(4-nitrophenyl)benzene?
2,4-dimethoxy-1-(4-nitrophenyl)benzene has a molecular weight of 259.26 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-(4-nitrophenyl)benzene is sourced from PubChem (CID 59205838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).