1-bromo-2-(ethoxymethoxy)-4-iodobenzene

C9H10BrIO2 — CID 168973404

IUPAC1-bromo-2-(ethoxymethoxy)-4-iodobenzene
SMILESCCOCOc1cc(I)ccc1Br
InChIInChI=1S/C9H10BrIO2/c1-2-12-6-13-9-5-7(11)3-4-8(9)10/h3-5H,2,6H2,1H3
InChIKeyLTBUESMKAOFNFR-UHFFFAOYSA-N
MW356.99 g/mol
LogP3.43
Rot. Bonds4

About 1-bromo-2-(ethoxymethoxy)-4-iodobenzene

1-bromo-2-(ethoxymethoxy)-4-iodobenzene (PubChem CID 168973404) has the molecular formula C9H10BrIO2 and a molecular weight of 356.99 g/mol. Its IUPAC name is 1-bromo-2-(ethoxymethoxy)-4-iodobenzene.

Molecular Properties

Compound Name1-bromo-2-(ethoxymethoxy)-4-iodobenzene
PubChem CID168973404
Molecular FormulaC9H10BrIO2
Molecular Weight356.99 g/mol
Exact Mass355.89
IUPAC Name1-bromo-2-(ethoxymethoxy)-4-iodobenzene
SMILESCCOCOc1cc(I)ccc1Br
InChIInChI=1S/C9H10BrIO2/c1-2-12-6-13-9-5-7(11)3-4-8(9)10/h3-5H,2,6H2,1H3
InChIKeyLTBUESMKAOFNFR-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.99
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-(ethoxymethoxy)aniline
CID 103009022
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene
CID 169283559
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
CID 114672897
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene
CID 155284614
4-bromo-3-ethoxyaniline
CID 7015503
1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene
CID 107745815
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol
CID 65369644
[2-(ethoxymethoxy)-3-[3-(ethoxymethoxy)-4-(hydroxymethyl)-7-iodonaphthalen-2-yl]-6-iodonaphthalen-1-yl]methanol
CID 176847878
(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
CID 130713970

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(ethoxymethoxy)-4-iodobenzene?
The IUPAC name of 1-bromo-2-(ethoxymethoxy)-4-iodobenzene (CID 168973404) is 1-bromo-2-(ethoxymethoxy)-4-iodobenzene.
What is the SMILES notation for 1-bromo-2-(ethoxymethoxy)-4-iodobenzene?
The canonical SMILES for 1-bromo-2-(ethoxymethoxy)-4-iodobenzene is CCOCOc1cc(I)ccc1Br.
What is the InChIKey of 1-bromo-2-(ethoxymethoxy)-4-iodobenzene?
The InChIKey is LTBUESMKAOFNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrIO2/c1-2-12-6-13-9-5-7(11)3-4-8(9)10/h3-5H,2,6H2,1H3.
What are the key properties of 1-bromo-2-(ethoxymethoxy)-4-iodobenzene?
1-bromo-2-(ethoxymethoxy)-4-iodobenzene has a molecular weight of 356.99 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(ethoxymethoxy)-4-iodobenzene is sourced from PubChem (CID 168973404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).