1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene

C15H13BrCl2O — CID 63444300

IUPAC1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
SMILESCOc1cccc(CC(Br)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13BrCl2O/c1-19-12-4-2-3-10(7-12)8-14(16)13-6-5-11(17)9-15(13)18/h2-7,9,14H,8H2,1H3
InChIKeyCSPLRVOWYFMUDD-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.68
Rot. Bonds4

About 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene

1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene (PubChem CID 63444300) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
PubChem CID63444300
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
SMILESCOc1cccc(CC(Br)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13BrCl2O/c1-19-12-4-2-3-10(7-12)8-14(16)13-6-5-11(17)9-15(13)18/h2-7,9,14H,8H2,1H3
InChIKeyCSPLRVOWYFMUDD-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.68
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-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890425
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050350
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443710
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
CID 63441796
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
CID 107993414
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818
2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
CID 63434211

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene (CID 63444300) is 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene is COc1cccc(CC(Br)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene?
The InChIKey is CSPLRVOWYFMUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-19-12-4-2-3-10(7-12)8-14(16)13-6-5-11(17)9-15(13)18/h2-7,9,14H,8H2,1H3.
What are the key properties of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene?
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene has a molecular weight of 360.08 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene is sourced from PubChem (CID 63444300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).