1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene

C12H14BrIO — CID 114773973

IUPAC1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
SMILESBrc1ccccc1C(CI)OC1CCC1
InChIInChI=1S/C12H14BrIO/c13-11-7-2-1-6-10(11)12(8-14)15-9-4-3-5-9/h1-2,6-7,9,12H,3-5,8H2
InChIKeyZQGOXEYCYDKCQF-UHFFFAOYSA-N
MW381.05 g/mol
LogP4.49
Rot. Bonds4

About 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene

1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene (PubChem CID 114773973) has the molecular formula C12H14BrIO and a molecular weight of 381.05 g/mol. Its IUPAC name is 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
PubChem CID114773973
Molecular FormulaC12H14BrIO
Molecular Weight381.05 g/mol
Exact Mass379.93
IUPAC Name1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
SMILESBrc1ccccc1C(CI)OC1CCC1
InChIInChI=1S/C12H14BrIO/c13-11-7-2-1-6-10(11)12(8-14)15-9-4-3-5-9/h1-2,6-7,9,12H,3-5,8H2
InChIKeyZQGOXEYCYDKCQF-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.05
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
CID 114774100
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 114772198
1-chloro-2-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774288
N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63474611
3-[[1-(2-bromophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773806
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052
1-chloro-4-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773972
[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774282
1-[1-(4,4-dimethylcyclohexyl)oxy-2-iodoethyl]-2-methoxybenzene
CID 114775179
2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 114157313

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene?
The IUPAC name of 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene (CID 114773973) is 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene.
What is the SMILES notation for 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene?
The canonical SMILES for 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene is Brc1ccccc1C(CI)OC1CCC1.
What is the InChIKey of 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene?
The InChIKey is ZQGOXEYCYDKCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrIO/c13-11-7-2-1-6-10(11)12(8-14)15-9-4-3-5-9/h1-2,6-7,9,12H,3-5,8H2.
What are the key properties of 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene?
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene has a molecular weight of 381.05 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene is sourced from PubChem (CID 114773973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).