1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene

C10H12BrClO — CID 62113195

IUPAC1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene
SMILESCCOC(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C10H12BrClO/c1-2-13-10(7-11)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeySAGZXKVFTMETOS-UHFFFAOYSA-N
MW263.56 g/mol
LogP3.81
Rot. Bonds4

About 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene

1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene (PubChem CID 62113195) has the molecular formula C10H12BrClO and a molecular weight of 263.56 g/mol. Its IUPAC name is 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene
PubChem CID62113195
Molecular FormulaC10H12BrClO
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene
SMILESCCOC(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C10H12BrClO/c1-2-13-10(7-11)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeySAGZXKVFTMETOS-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 53.81
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

1-(2-bromo-1-octoxyethyl)-4-chlorobenzene
CID 63474414
1-(2-bromo-1-butan-2-yloxyethyl)-4-chlorobenzene
CID 30612
1-chloro-4-[(1R)-1-ethoxybut-3-enyl]benzene
CID 125492960
1-[2-bromo-1-(cyclopropylmethoxy)ethyl]-4-chlorobenzene
CID 62113858
1-[2-bromo-1-(1-phenylethoxy)ethyl]-4-chlorobenzene
CID 62106906
4-[[2-bromo-1-(4-chlorophenyl)ethoxy]methyl]oxane
CID 62383300
(1S)-1-(4-chlorophenyl)-2,2-diethoxyethanamine
CID 162516854
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
1-(1-butoxybutyl)-4-chlorobenzene
CID 56977636
2-ethoxy-2-(4-propan-2-ylphenyl)ethanamine
CID 66071740
2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine
CID 81155936
1-bromo-4-(1-ethoxy-2-iodoethyl)benzene
CID 114771904

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene?
The IUPAC name of 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene (CID 62113195) is 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene.
What is the SMILES notation for 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene?
The canonical SMILES for 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene is CCOC(CBr)c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene?
The InChIKey is SAGZXKVFTMETOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO/c1-2-13-10(7-11)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3.
What are the key properties of 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene?
1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene has a molecular weight of 263.56 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene is sourced from PubChem (CID 62113195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).