1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone

C14H10BrNO4 — CID 62871575

IUPAC1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone
SMILESCC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br
InChIInChI=1S/C14H10BrNO4/c1-9(17)11-8-10(16(18)19)6-7-13(11)20-14-5-3-2-4-12(14)15/h2-8H,1H3
InChIKeyBTBUPDHTMKIBLY-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.35
Rot. Bonds4

About 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone

1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone (PubChem CID 62871575) has the molecular formula C14H10BrNO4 and a molecular weight of 336.14 g/mol. Its IUPAC name is 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone
PubChem CID62871575
Molecular FormulaC14H10BrNO4
Molecular Weight336.14 g/mol
Exact Mass334.98
IUPAC Name1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone
SMILESCC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br
InChIInChI=1S/C14H10BrNO4/c1-9(17)11-8-10(16(18)19)6-7-13(11)20-14-5-3-2-4-12(14)15/h2-8H,1H3
InChIKeyBTBUPDHTMKIBLY-UHFFFAOYSA-N
XLogP4.35
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.35
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-[2-(2-bromo-4-methylphenoxy)-5-nitrophenyl]ethanone
CID 62871942
1-[2-(4-bromo-3-methylphenoxy)-5-nitrophenyl]ethanone
CID 83136228
2-(2-bromophenoxy)-5-nitrobenzaldehyde
CID 28888057
1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
CID 62873224
1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone
CID 62873585
2-(2-bromophenoxy)-5-nitrobenzenesulfonamide
CID 16757272
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
5-bromo-2-(2-bromo-4-nitrophenoxy)benzoic acid
CID 107730221
1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitrophenyl]ethanone
CID 106597317
1-[2-(2-methoxyethoxy)-5-nitrophenyl]ethanone
CID 62872855
2-(2-bromophenoxy)-3-chloro-5-nitrobenzoic acid
CID 107186728
1-[2-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 103483326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone?
The IUPAC name of 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone (CID 62871575) is 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone.
What is the SMILES notation for 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone?
The canonical SMILES for 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone is CC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone?
The InChIKey is BTBUPDHTMKIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO4/c1-9(17)11-8-10(16(18)19)6-7-13(11)20-14-5-3-2-4-12(14)15/h2-8H,1H3.
What are the key properties of 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone?
1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone has a molecular weight of 336.14 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone is sourced from PubChem (CID 62871575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).