[2-bromo-1-(2-bromoethoxy)ethyl]benzene

C10H12Br2O — CID 13011074

IUPAC[2-bromo-1-(2-bromoethoxy)ethyl]benzene
SMILESBrCCOC(CBr)c1ccccc1
InChIInChI=1S/C10H12Br2O/c11-6-7-13-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeySGSPHSBNYIBPPF-UHFFFAOYSA-N
MW308.01 g/mol
LogP3.53
Rot. Bonds5

About [2-bromo-1-(2-bromoethoxy)ethyl]benzene

[2-bromo-1-(2-bromoethoxy)ethyl]benzene (PubChem CID 13011074) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is [2-bromo-1-(2-bromoethoxy)ethyl]benzene.

Molecular Properties

Compound Name[2-bromo-1-(2-bromoethoxy)ethyl]benzene
PubChem CID13011074
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name[2-bromo-1-(2-bromoethoxy)ethyl]benzene
SMILESBrCCOC(CBr)c1ccccc1
InChIInChI=1S/C10H12Br2O/c11-6-7-13-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeySGSPHSBNYIBPPF-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-bromo-1-(2-bromoethoxy)ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene
CID 10717396
1-(2-bromoethoxy)ethylbenzene
CID 24688557
1-(6-bromohexoxy)propylbenzene
CID 19798028
1-[2-bromo-1-(3-phenylpropoxy)ethyl]-3-chlorobenzene
CID 63473880
(2-bromo-1-phenylethyl) carbamate
CID 175141510
1-bromo-3-(2-bromo-1-heptoxyethyl)benzene
CID 63474762
1-[2-bromo-1-(4-methylpentoxy)ethyl]-3-methylbenzene
CID 63474054
N-[2-(2-bromo-1-phenylethoxy)ethyl]-4-nitrobenzenesulfonamide
CID 135067974
3-(2-amino-1-phenylethoxy)propan-1-amine
CID 70040020
(3-bromo-1-phenoxypropyl)benzene
CID 140974911
1-[2-bromo-1-(4-methylpentoxy)ethyl]-3-fluorobenzene
CID 62108155
2-[(1S)-2-iodo-1-phenylethoxy]ethanol
CID 125483394

Frequently Asked Questions

What is the IUPAC name of [2-bromo-1-(2-bromoethoxy)ethyl]benzene?
The IUPAC name of [2-bromo-1-(2-bromoethoxy)ethyl]benzene (CID 13011074) is [2-bromo-1-(2-bromoethoxy)ethyl]benzene.
What is the SMILES notation for [2-bromo-1-(2-bromoethoxy)ethyl]benzene?
The canonical SMILES for [2-bromo-1-(2-bromoethoxy)ethyl]benzene is BrCCOC(CBr)c1ccccc1.
What is the InChIKey of [2-bromo-1-(2-bromoethoxy)ethyl]benzene?
The InChIKey is SGSPHSBNYIBPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c11-6-7-13-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of [2-bromo-1-(2-bromoethoxy)ethyl]benzene?
[2-bromo-1-(2-bromoethoxy)ethyl]benzene has a molecular weight of 308.01 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-1-(2-bromoethoxy)ethyl]benzene is sourced from PubChem (CID 13011074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).