2,2-dibromoethoxymethylbenzene

C9H10Br2O — CID 14668834

IUPAC2,2-dibromoethoxymethylbenzene
SMILESBrC(Br)COCc1ccccc1
InChIInChI=1S/C9H10Br2O/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyHDIZSQZTUGDYIX-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.32
Rot. Bonds4

About 2,2-dibromoethoxymethylbenzene

2,2-dibromoethoxymethylbenzene (PubChem CID 14668834) has the molecular formula C9H10Br2O and a molecular weight of 293.99 g/mol. Its IUPAC name is 2,2-dibromoethoxymethylbenzene.

Molecular Properties

Compound Name2,2-dibromoethoxymethylbenzene
PubChem CID14668834
Molecular FormulaC9H10Br2O
Molecular Weight293.99 g/mol
Exact Mass291.91
IUPAC Name2,2-dibromoethoxymethylbenzene
SMILESBrC(Br)COCc1ccccc1
InChIInChI=1S/C9H10Br2O/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyHDIZSQZTUGDYIX-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
(2S,3R)-3-bromo-4-phenylmethoxybutane-1,2-diol
CID 101113557
CID 91172342
CID 91172342
2-bromo-3-phenylmethoxypropanoyl chloride
CID 154663472
CID 66734377
CID 66734377
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2,3-difluoropropoxymethylbenzene
CID 86233522
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromoethoxymethylbenzene?
The IUPAC name of 2,2-dibromoethoxymethylbenzene (CID 14668834) is 2,2-dibromoethoxymethylbenzene.
What is the SMILES notation for 2,2-dibromoethoxymethylbenzene?
The canonical SMILES for 2,2-dibromoethoxymethylbenzene is BrC(Br)COCc1ccccc1.
What is the InChIKey of 2,2-dibromoethoxymethylbenzene?
The InChIKey is HDIZSQZTUGDYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2,2-dibromoethoxymethylbenzene?
2,2-dibromoethoxymethylbenzene has a molecular weight of 293.99 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromoethoxymethylbenzene is sourced from PubChem (CID 14668834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).