2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene

C16H16BrClO2 — CID 63437142

IUPAC2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Br)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H16BrClO2/c1-19-12-7-8-16(20-2)13(10-12)14(17)9-11-5-3-4-6-15(11)18/h3-8,10,14H,9H2,1-2H3
InChIKeyAVVCFCYULXJMOP-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.04
Rot. Bonds5

About 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene

2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene (PubChem CID 63437142) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene
PubChem CID63437142
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Br)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H16BrClO2/c1-19-12-7-8-16(20-2)13(10-12)14(17)9-11-5-3-4-6-15(11)18/h3-8,10,14H,9H2,1-2H3
InChIKeyAVVCFCYULXJMOP-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447650
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300
1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63528581
1-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 43480061
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
1-(2,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 61100911
3-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]thiophene
CID 63017599
4-[2-bromo-2-(5-chloro-2-methoxyphenyl)ethyl]-3-chloropyridine
CID 112656009

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene (CID 63437142) is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(C(Br)Cc2ccccc2Cl)c1.
What is the InChIKey of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene?
The InChIKey is AVVCFCYULXJMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-19-12-7-8-16(20-2)13(10-12)14(17)9-11-5-3-4-6-15(11)18/h3-8,10,14H,9H2,1-2H3.
What are the key properties of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene?
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene has a molecular weight of 355.66 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 63437142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).