2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene

C13H9Cl2NO4 — CID 13145675

IUPAC2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
SMILESCOc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO4/c1-19-10-6-7-11(13(15)12(10)14)20-9-4-2-8(3-5-9)16(17)18/h2-7H,1H3
InChIKeyHRSZBKAWJZTYSI-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.70
Rot. Bonds4

About 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene

2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene (PubChem CID 13145675) has the molecular formula C13H9Cl2NO4 and a molecular weight of 314.12 g/mol. Its IUPAC name is 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
PubChem CID13145675
Molecular FormulaC13H9Cl2NO4
Molecular Weight314.12 g/mol
Exact Mass312.99
IUPAC Name2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
SMILESCOc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO4/c1-19-10-6-7-11(13(15)12(10)14)20-9-4-2-8(3-5-9)16(17)18/h2-7H,1H3
InChIKeyHRSZBKAWJZTYSI-UHFFFAOYSA-N
XLogP4.70
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.70
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

1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
2-[2,3-dichloro-4-(4-nitrophenoxy)phenyl]acetonitrile
CID 13409052
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
2,4-dichloro-1,3-dimethyl-5-(4-nitrophenoxy)benzene
CID 2797579
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032053
1-[3-chloro-4-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81155419

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene?
The IUPAC name of 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene (CID 13145675) is 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene.
What is the SMILES notation for 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene?
The canonical SMILES for 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene is COc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene?
The InChIKey is HRSZBKAWJZTYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4/c1-19-10-6-7-11(13(15)12(10)14)20-9-4-2-8(3-5-9)16(17)18/h2-7H,1H3.
What are the key properties of 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene?
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene has a molecular weight of 314.12 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene is sourced from PubChem (CID 13145675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).