4-bromo-1-cyclobutyloxy-2-nitrobenzene

C10H10BrNO3 — CID 62141791

IUPAC4-bromo-1-cyclobutyloxy-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)ccc1OC1CCC1
InChIInChI=1S/C10H10BrNO3/c11-7-4-5-10(9(6-7)12(13)14)15-8-2-1-3-8/h4-6,8H,1-3H2
InChIKeySDNVHQYCBIZJEP-UHFFFAOYSA-N
MW272.10 g/mol
LogP3.29
Rot. Bonds3

About 4-bromo-1-cyclobutyloxy-2-nitrobenzene

4-bromo-1-cyclobutyloxy-2-nitrobenzene (PubChem CID 62141791) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 4-bromo-1-cyclobutyloxy-2-nitrobenzene.

Molecular Properties

Compound Name4-bromo-1-cyclobutyloxy-2-nitrobenzene
PubChem CID62141791
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name4-bromo-1-cyclobutyloxy-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)ccc1OC1CCC1
InChIInChI=1S/C10H10BrNO3/c11-7-4-5-10(9(6-7)12(13)14)15-8-2-1-3-8/h4-6,8H,1-3H2
InChIKeySDNVHQYCBIZJEP-UHFFFAOYSA-N
XLogP3.29
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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CID 79465222
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CID 64745600
3-(4-bromo-2-nitrophenoxy)spiro[3.4]octan-1-amine
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3-(4-bromo-2-nitrophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930414
1-(4-bromo-2-nitrophenoxy)-3-chlorospiro[3.4]octane
CID 66344136
5-cyclopentyloxy-2,4-dinitrophenol
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4-bromo-1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-nitrobenzene
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4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
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(2S)-2-[(4-bromo-2-nitrophenoxy)methyl]pyrrolidine
CID 94406471
4-(2,4-dinitrophenoxy)piperidine
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3-(4-bromo-2-nitrophenoxy)-2-ethoxycyclobutan-1-amine
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CID 65430510

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclobutyloxy-2-nitrobenzene?
The IUPAC name of 4-bromo-1-cyclobutyloxy-2-nitrobenzene (CID 62141791) is 4-bromo-1-cyclobutyloxy-2-nitrobenzene.
What is the SMILES notation for 4-bromo-1-cyclobutyloxy-2-nitrobenzene?
The canonical SMILES for 4-bromo-1-cyclobutyloxy-2-nitrobenzene is O=[N+]([O-])c1cc(Br)ccc1OC1CCC1.
What is the InChIKey of 4-bromo-1-cyclobutyloxy-2-nitrobenzene?
The InChIKey is SDNVHQYCBIZJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-7-4-5-10(9(6-7)12(13)14)15-8-2-1-3-8/h4-6,8H,1-3H2.
What are the key properties of 4-bromo-1-cyclobutyloxy-2-nitrobenzene?
4-bromo-1-cyclobutyloxy-2-nitrobenzene has a molecular weight of 272.10 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclobutyloxy-2-nitrobenzene is sourced from PubChem (CID 62141791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).