2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene

C17H18BrClO — CID 63447650

IUPAC2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Br)Cc1ccccc1Cl
InChIInChI=1S/C17H18BrClO/c1-3-20-17-9-8-12(2)10-14(17)15(18)11-13-6-4-5-7-16(13)19/h4-10,15H,3,11H2,1-2H3
InChIKeyOQGWHVVARMKRBO-UHFFFAOYSA-N
MW353.69 g/mol
LogP5.73
Rot. Bonds5

About 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene

2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene (PubChem CID 63447650) has the molecular formula C17H18BrClO and a molecular weight of 353.69 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene
PubChem CID63447650
Molecular FormulaC17H18BrClO
Molecular Weight353.69 g/mol
Exact Mass352.02
IUPAC Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Br)Cc1ccccc1Cl
InChIInChI=1S/C17H18BrClO/c1-3-20-17-9-8-12(2)10-14(17)15(18)11-13-6-4-5-7-16(13)19/h4-10,15H,3,11H2,1-2H3
InChIKeyOQGWHVVARMKRBO-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.69
LogP ≤ 55.73
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

2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene
CID 63437142
2-[1-bromo-2-(3-bromophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447563
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447610
1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 63443873
1-(2-ethoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 62302998
1-chloro-2-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]-3-fluorobenzene
CID 63447690
2-[bromo-(3,4-dimethylphenyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447968
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432
(3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 81266896
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene
CID 63443048

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene?
The IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene (CID 63447650) is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene.
What is the SMILES notation for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene?
The canonical SMILES for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene is CCOc1ccc(C)cc1C(Br)Cc1ccccc1Cl.
What is the InChIKey of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene?
The InChIKey is OQGWHVVARMKRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO/c1-3-20-17-9-8-12(2)10-14(17)15(18)11-13-6-4-5-7-16(13)19/h4-10,15H,3,11H2,1-2H3.
What are the key properties of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene?
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene has a molecular weight of 353.69 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene is sourced from PubChem (CID 63447650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).