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

C14H13NO5 — CID 58929090

IUPAC1,4-dimethoxy-2-(4-nitrophenoxy)benzene
SMILESCOc1ccc(OC)c(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13NO5/c1-18-12-7-8-13(19-2)14(9-12)20-11-5-3-10(4-6-11)15(16)17/h3-9H,1-2H3
InChIKeyMSPYNVMJZLNWLW-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.40
Rot. Bonds5

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

1,4-dimethoxy-2-(4-nitrophenoxy)benzene (PubChem CID 58929090) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 1,4-dimethoxy-2-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-(4-nitrophenoxy)benzene
PubChem CID58929090
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name1,4-dimethoxy-2-(4-nitrophenoxy)benzene
SMILESCOc1ccc(OC)c(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13NO5/c1-18-12-7-8-13(19-2)14(9-12)20-11-5-3-10(4-6-11)15(16)17/h3-9H,1-2H3
InChIKeyMSPYNVMJZLNWLW-UHFFFAOYSA-N
XLogP3.40
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032053
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
4-(2-methoxy-5-nitrophenoxy)-2-methylbenzonitrile
CID 81273441
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-(4-nitrophenoxy)benzene?
The IUPAC name of 1,4-dimethoxy-2-(4-nitrophenoxy)benzene (CID 58929090) is 1,4-dimethoxy-2-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1,4-dimethoxy-2-(4-nitrophenoxy)benzene?
The canonical SMILES for 1,4-dimethoxy-2-(4-nitrophenoxy)benzene is COc1ccc(OC)c(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 1,4-dimethoxy-2-(4-nitrophenoxy)benzene?
The InChIKey is MSPYNVMJZLNWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-18-12-7-8-13(19-2)14(9-12)20-11-5-3-10(4-6-11)15(16)17/h3-9H,1-2H3.
What are the key properties of 1,4-dimethoxy-2-(4-nitrophenoxy)benzene?
1,4-dimethoxy-2-(4-nitrophenoxy)benzene has a molecular weight of 275.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-(4-nitrophenoxy)benzene is sourced from PubChem (CID 58929090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).