3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane

C12H14BrIO2 — CID 114774100

IUPAC3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
SMILESBrc1ccccc1C(CI)OC1CCOC1
InChIInChI=1S/C12H14BrIO2/c13-11-4-2-1-3-10(11)12(7-14)16-9-5-6-15-8-9/h1-4,9,12H,5-8H2
InChIKeyRSAQDCQRJNZYPR-UHFFFAOYSA-N
MW397.05 g/mol
LogP3.73
Rot. Bonds4

About 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane

3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane (PubChem CID 114774100) has the molecular formula C12H14BrIO2 and a molecular weight of 397.05 g/mol. Its IUPAC name is 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane.

Molecular Properties

Compound Name3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
PubChem CID114774100
Molecular FormulaC12H14BrIO2
Molecular Weight397.05 g/mol
Exact Mass395.92
IUPAC Name3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
SMILESBrc1ccccc1C(CI)OC1CCOC1
InChIInChI=1S/C12H14BrIO2/c13-11-4-2-1-3-10(11)12(7-14)16-9-5-6-15-8-9/h1-4,9,12H,5-8H2
InChIKeyRSAQDCQRJNZYPR-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.05
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]methyl]oxolane
CID 114773806
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 55220620
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052
3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane
CID 102607696
4-[[2-bromo-1-(2-bromophenyl)ethoxy]methyl]oxane
CID 55066481
4-[1-(2-bromophenyl)-2-(5-methyl-2,3-dihydrothiophen-1-ium-1-yl)ethoxy]oxane
CID 172821042
3-[1-(2-bromophenyl)ethyl]oxolane
CID 115047473
1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 114772198
3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane
CID 63558670
1-(2-methylphenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 63559231
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane?
The IUPAC name of 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane (CID 114774100) is 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane.
What is the SMILES notation for 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane?
The canonical SMILES for 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane is Brc1ccccc1C(CI)OC1CCOC1.
What is the InChIKey of 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane?
The InChIKey is RSAQDCQRJNZYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrIO2/c13-11-4-2-1-3-10(11)12(7-14)16-9-5-6-15-8-9/h1-4,9,12H,5-8H2.
What are the key properties of 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane?
3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane has a molecular weight of 397.05 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane is sourced from PubChem (CID 114774100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).