1-bromo-3-(2-bromoethoxy)benzene

C8H8Br2O — CID 2384209

IUPAC1-bromo-3-(2-bromoethoxy)benzene
SMILESBrCCOc1cccc(Br)c1
InChIInChI=1S/C8H8Br2O/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2
InChIKeyCKXSBCXRNZGJJN-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.22
Rot. Bonds3

About 1-bromo-3-(2-bromoethoxy)benzene

1-bromo-3-(2-bromoethoxy)benzene (PubChem CID 2384209) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 1-bromo-3-(2-bromoethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-bromoethoxy)benzene
PubChem CID2384209
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name1-bromo-3-(2-bromoethoxy)benzene
SMILESBrCCOc1cccc(Br)c1
InChIInChI=1S/C8H8Br2O/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2
InChIKeyCKXSBCXRNZGJJN-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.22
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

4-Bromodiphenyl Ether
CID 7565
4,4'-Dibromodiphenyl ether
CID 16305
4-Bromoanisole
CID 7730
2-Bromoanisole
CID 11358
2,4,4'-Tribromodiphenyl ether
CID 12110098
Benzene, (2-bromoethoxy)-
CID 68526
Benzene, 2-bromo-1,4-dimethoxy-
CID 91353
Allyl 2,4,6-tribromophenyl ether
CID 76767
Allyl phenyl ether
CID 74458
Tribromodiphenyl ether (mixed isomers)
CID 39506
3-Bromoanisole
CID 16971
4'-Bromobenzo-18-crown 6-Ether
CID 2734267

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-bromoethoxy)benzene?
The IUPAC name of 1-bromo-3-(2-bromoethoxy)benzene (CID 2384209) is 1-bromo-3-(2-bromoethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(2-bromoethoxy)benzene?
The canonical SMILES for 1-bromo-3-(2-bromoethoxy)benzene is BrCCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-bromoethoxy)benzene?
The InChIKey is CKXSBCXRNZGJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2.
What are the key properties of 1-bromo-3-(2-bromoethoxy)benzene?
1-bromo-3-(2-bromoethoxy)benzene has a molecular weight of 279.96 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-bromoethoxy)benzene is sourced from PubChem (CID 2384209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).