1-bromo-4,5-diethoxy-2-iodobenzene

C10H12BrIO2 — CID 81479058

IUPAC1-bromo-4,5-diethoxy-2-iodobenzene
SMILESCCOc1cc(Br)c(I)cc1OCC
InChIInChI=1S/C10H12BrIO2/c1-3-13-9-5-7(11)8(12)6-10(9)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyPHHRIXBVJONGCC-UHFFFAOYSA-N
MW371.01 g/mol
LogP3.85
Rot. Bonds4

About 1-bromo-4,5-diethoxy-2-iodobenzene

1-bromo-4,5-diethoxy-2-iodobenzene (PubChem CID 81479058) has the molecular formula C10H12BrIO2 and a molecular weight of 371.01 g/mol. Its IUPAC name is 1-bromo-4,5-diethoxy-2-iodobenzene.

Molecular Properties

Compound Name1-bromo-4,5-diethoxy-2-iodobenzene
PubChem CID81479058
Molecular FormulaC10H12BrIO2
Molecular Weight371.01 g/mol
Exact Mass369.91
IUPAC Name1-bromo-4,5-diethoxy-2-iodobenzene
SMILESCCOc1cc(Br)c(I)cc1OCC
InChIInChI=1S/C10H12BrIO2/c1-3-13-9-5-7(11)8(12)6-10(9)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyPHHRIXBVJONGCC-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.01
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
(1R)-1-(2-bromo-4,5-diethoxyphenyl)propan-1-amine
CID 82759031
1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
CID 59838060
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene
CID 103514520
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
1-bromo-2-(1-chloro-2-ethylbutyl)-4,5-diethoxybenzene
CID 63433283
6-bromo-4-ethoxy-2,3-difluorophenol
CID 84707726
1-bromo-2-(1-chloro-3-methylbutyl)-4,5-diethoxybenzene
CID 63432715
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
1-bromo-4-ethoxy-2,5-diethylbenzene
CID 146408869

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4,5-diethoxy-2-iodobenzene?
The IUPAC name of 1-bromo-4,5-diethoxy-2-iodobenzene (CID 81479058) is 1-bromo-4,5-diethoxy-2-iodobenzene.
What is the SMILES notation for 1-bromo-4,5-diethoxy-2-iodobenzene?
The canonical SMILES for 1-bromo-4,5-diethoxy-2-iodobenzene is CCOc1cc(Br)c(I)cc1OCC.
What is the InChIKey of 1-bromo-4,5-diethoxy-2-iodobenzene?
The InChIKey is PHHRIXBVJONGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrIO2/c1-3-13-9-5-7(11)8(12)6-10(9)14-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-bromo-4,5-diethoxy-2-iodobenzene?
1-bromo-4,5-diethoxy-2-iodobenzene has a molecular weight of 371.01 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,5-diethoxy-2-iodobenzene is sourced from PubChem (CID 81479058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).