1-bromo-3-(2-iodophenoxy)propan-2-ol

C9H10BrIO2 — CID 112560670

IUPAC1-bromo-3-(2-iodophenoxy)propan-2-ol
SMILESOC(CBr)COc1ccccc1I
InChIInChI=1S/C9H10BrIO2/c10-5-7(12)6-13-9-4-2-1-3-8(9)11/h1-4,7,12H,5-6H2
InChIKeySTBXHINMOJRAEX-UHFFFAOYSA-N
MW356.99 g/mol
LogP2.43
Rot. Bonds4

About 1-bromo-3-(2-iodophenoxy)propan-2-ol

1-bromo-3-(2-iodophenoxy)propan-2-ol (PubChem CID 112560670) has the molecular formula C9H10BrIO2 and a molecular weight of 356.99 g/mol. Its IUPAC name is 1-bromo-3-(2-iodophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-(2-iodophenoxy)propan-2-ol
PubChem CID112560670
Molecular FormulaC9H10BrIO2
Molecular Weight356.99 g/mol
Exact Mass355.89
IUPAC Name1-bromo-3-(2-iodophenoxy)propan-2-ol
SMILESOC(CBr)COc1ccccc1I
InChIInChI=1S/C9H10BrIO2/c10-5-7(12)6-13-9-4-2-1-3-8(9)11/h1-4,7,12H,5-6H2
InChIKeySTBXHINMOJRAEX-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.99
LogP ≤ 52.43
H-Bond Donors ≤ 51
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

1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
1-(2-chloropropoxy)-2-iodobenzene
CID 135222476
[2-hydroxy-3-(2-iodophenoxy)propyl] 2-methylprop-2-enoate
CID 171726363
1-(2,2-dimethoxyethoxy)-2-iodobenzene
CID 66221266
1-bromo-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688899
1-(2,2-diethoxyethoxy)-2-iodobenzene
CID 63630107
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
(2-iodophenyl) 3-bromopropanoate
CID 102051950
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
2-acetamido-3-(2-iodophenoxy)propanoic acid
CID 65443376

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-iodophenoxy)propan-2-ol?
The IUPAC name of 1-bromo-3-(2-iodophenoxy)propan-2-ol (CID 112560670) is 1-bromo-3-(2-iodophenoxy)propan-2-ol.
What is the SMILES notation for 1-bromo-3-(2-iodophenoxy)propan-2-ol?
The canonical SMILES for 1-bromo-3-(2-iodophenoxy)propan-2-ol is OC(CBr)COc1ccccc1I.
What is the InChIKey of 1-bromo-3-(2-iodophenoxy)propan-2-ol?
The InChIKey is STBXHINMOJRAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrIO2/c10-5-7(12)6-13-9-4-2-1-3-8(9)11/h1-4,7,12H,5-6H2.
What are the key properties of 1-bromo-3-(2-iodophenoxy)propan-2-ol?
1-bromo-3-(2-iodophenoxy)propan-2-ol has a molecular weight of 356.99 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-iodophenoxy)propan-2-ol is sourced from PubChem (CID 112560670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).