1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene

C20H23BrO — CID 10546363

IUPAC1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene
SMILESCCc1ccccc1C(=COCCBr)c1ccccc1CC
InChIInChI=1S/C20H23BrO/c1-3-16-9-5-7-11-18(16)20(15-22-14-13-21)19-12-8-6-10-17(19)4-2/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyGZTWPUUHVCGHSB-UHFFFAOYSA-N
MW359.31 g/mol
LogP5.61
Rot. Bonds7

About 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene

1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene (PubChem CID 10546363) has the molecular formula C20H23BrO and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene.

Molecular Properties

Compound Name1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene
PubChem CID10546363
Molecular FormulaC20H23BrO
Molecular Weight359.31 g/mol
Exact Mass358.09
IUPAC Name1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene
SMILESCCc1ccccc1C(=COCCBr)c1ccccc1CC
InChIInChI=1S/C20H23BrO/c1-3-16-9-5-7-11-18(16)20(15-22-14-13-21)19-12-8-6-10-17(19)4-2/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyGZTWPUUHVCGHSB-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene 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-(2-bromoethoxy)-1-(2-methylphenyl)ethenyl]-4-fluoro-2-methylbenzene
CID 54296314
(3R)-1-[2-[2,2-bis(2-ethylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid
CID 11797532
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene
CID 144535751
2-ethylbenzoic acid;tungsten
CID 23518478
phenyl 2-(2-ethylphenyl)but-2-enoate
CID 178071064
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
bis(2-ethylbenzoate);lead(2+)
CID 101297382
2-ethylbenzenecarbothioyl chloride
CID 23333077
barium(2+);bis(2-ethylbenzoate)
CID 101299927
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene?
The IUPAC name of 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene (CID 10546363) is 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene.
What is the SMILES notation for 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene?
The canonical SMILES for 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene is CCc1ccccc1C(=COCCBr)c1ccccc1CC.
What is the InChIKey of 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene?
The InChIKey is GZTWPUUHVCGHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrO/c1-3-16-9-5-7-11-18(16)20(15-22-14-13-21)19-12-8-6-10-17(19)4-2/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene?
1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene has a molecular weight of 359.31 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromoethoxy)-1-(2-ethylphenyl)ethenyl]-2-ethylbenzene is sourced from PubChem (CID 10546363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).