1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene

C12H16BrIO — CID 114772198

IUPAC1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene
SMILESCC(C)(C)OC(CI)c1ccccc1Br
InChIInChI=1S/C12H16BrIO/c1-12(2,3)15-11(8-14)9-6-4-5-7-10(9)13/h4-7,11H,8H2,1-3H3
InChIKeyLSLILCMVVLVOMH-UHFFFAOYSA-N
MW383.07 g/mol
LogP4.74
Rot. Bonds3

About 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene

1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene (PubChem CID 114772198) has the molecular formula C12H16BrIO and a molecular weight of 383.07 g/mol. Its IUPAC name is 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene
PubChem CID114772198
Molecular FormulaC12H16BrIO
Molecular Weight383.07 g/mol
Exact Mass381.94
IUPAC Name1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene
SMILESCC(C)(C)OC(CI)c1ccccc1Br
InChIInChI=1S/C12H16BrIO/c1-12(2,3)15-11(8-14)9-6-4-5-7-10(9)13/h4-7,11H,8H2,1-3H3
InChIKeyLSLILCMVVLVOMH-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.07
LogP ≤ 54.74
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

1-bromo-2-[1-(3,3-dimethylbutoxy)-2-iodoethyl]benzene
CID 114774524
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587184
1-bromo-2-[2-bromo-1-(trifluoromethoxy)ethyl]benzene
CID 123131823
2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
CID 114774100
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
1-bromo-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
CID 156764357
3-[[1-(2-bromophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773806
1-bromo-2-[2-bromo-1-(2-methylpropoxy)ethyl]benzene
CID 62112360
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
3-(2-bromophenyl)-3-methoxypropanoic acid
CID 83844316

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The IUPAC name of 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene (CID 114772198) is 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene.
What is the SMILES notation for 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The canonical SMILES for 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene is CC(C)(C)OC(CI)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The InChIKey is LSLILCMVVLVOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrIO/c1-12(2,3)15-11(8-14)9-6-4-5-7-10(9)13/h4-7,11H,8H2,1-3H3.
What are the key properties of 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene has a molecular weight of 383.07 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene is sourced from PubChem (CID 114772198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).