2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene

C13H10BrNO4 — CID 104707690

IUPAC2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
SMILESCOc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1
InChIInChI=1S/C13H10BrNO4/c1-18-11-6-7-13(12(14)8-11)19-10-4-2-9(3-5-10)15(16)17/h2-8H,1H3
InChIKeyAERJSZWOGKRRBC-UHFFFAOYSA-N
MW324.13 g/mol
LogP4.16
Rot. Bonds4

About 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene

2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene (PubChem CID 104707690) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
PubChem CID104707690
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
SMILESCOc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1
InChIInChI=1S/C13H10BrNO4/c1-18-11-6-7-13(12(14)8-11)19-10-4-2-9(3-5-10)15(16)17/h2-8H,1H3
InChIKeyAERJSZWOGKRRBC-UHFFFAOYSA-N
XLogP4.16
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 54.16
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-bromo-4-methoxyphenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891273
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
4-(2-bromo-4-methoxyphenoxy)-2-nitrobenzaldehyde
CID 177352375
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
2-bromo-1-(3,4-dichlorophenoxy)-4-nitrobenzene
CID 1491144
2-(3-bromo-4-fluorophenoxy)-5-nitroaniline
CID 83233807
3-(2-bromo-4-methoxyphenoxy)-4-nitrobenzonitrile
CID 104713265
3-bromo-4-(4-nitrophenoxy)benzenecarboximidamide
CID 82799547
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene?
The IUPAC name of 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene (CID 104707690) is 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene.
What is the SMILES notation for 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene?
The canonical SMILES for 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene is COc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene?
The InChIKey is AERJSZWOGKRRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c1-18-11-6-7-13(12(14)8-11)19-10-4-2-9(3-5-10)15(16)17/h2-8H,1H3.
What are the key properties of 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene?
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene has a molecular weight of 324.13 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene is sourced from PubChem (CID 104707690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).