2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran

C12H10BrNO4 — CID 107284289

IUPAC2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
SMILESCc1ccc(Br)cc1OCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H10BrNO4/c1-8-2-3-9(13)6-11(8)17-7-10-4-5-12(18-10)14(15)16/h2-6H,7H2,1H3
InChIKeyONPOIZWWELCNMQ-UHFFFAOYSA-N
MW312.12 g/mol
LogP3.84
Rot. Bonds4

About 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran

2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran (PubChem CID 107284289) has the molecular formula C12H10BrNO4 and a molecular weight of 312.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran.

Molecular Properties

Compound Name2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
PubChem CID107284289
Molecular FormulaC12H10BrNO4
Molecular Weight312.12 g/mol
Exact Mass310.98
IUPAC Name2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
SMILESCc1ccc(Br)cc1OCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H10BrNO4/c1-8-2-3-9(13)6-11(8)17-7-10-4-5-12(18-10)14(15)16/h2-6H,7H2,1H3
InChIKeyONPOIZWWELCNMQ-UHFFFAOYSA-N
XLogP3.84
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 53.84
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-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
CID 107283936
5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde
CID 107285070
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 107286059
2-nitro-5-[(2-nitro-4-propan-2-ylphenoxy)methyl]furan
CID 58463818
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 107286140
5-[(5-bromo-2-methylphenoxy)methyl]-N-methyl-2-nitroaniline
CID 107285483
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799
4-[(5-nitrofuran-2-yl)methoxy]benzonitrile
CID 43143176
[5-[(5-bromo-2-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107285513
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43487283

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran?
The IUPAC name of 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran (CID 107284289) is 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran.
What is the SMILES notation for 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran?
The canonical SMILES for 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran is Cc1ccc(Br)cc1OCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran?
The InChIKey is ONPOIZWWELCNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4/c1-8-2-3-9(13)6-11(8)17-7-10-4-5-12(18-10)14(15)16/h2-6H,7H2,1H3.
What are the key properties of 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran?
2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran has a molecular weight of 312.12 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran is sourced from PubChem (CID 107284289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).