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

C15H13BrCl2O — CID 55224657

IUPAC1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
SMILESCOc1cccc(CC(Br)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H13BrCl2O/c1-19-11-5-2-4-10(8-11)9-13(16)12-6-3-7-14(17)15(12)18/h2-8,13H,9H2,1H3
InChIKeySSRRVHLPAJUEBR-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.68
Rot. Bonds4

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

1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene (PubChem CID 55224657) 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]-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
PubChem CID55224657
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
SMILESCOc1cccc(CC(Br)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H13BrCl2O/c1-19-11-5-2-4-10(8-11)9-13(16)12-6-3-7-14(17)15(12)18/h2-8,13H,9H2,1H3
InChIKeySSRRVHLPAJUEBR-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'}

Analyze 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene 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-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
CID 63444300
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890425
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050350
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029620
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
CID 107993414
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
CID 63441796
3-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,5-dimethylthiophene
CID 63440545
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
[1-(2-chlorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105205130

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene?
The IUPAC name of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene (CID 55224657) is 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene is COc1cccc(CC(Br)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene?
The InChIKey is SSRRVHLPAJUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-19-11-5-2-4-10(8-11)9-13(16)12-6-3-7-14(17)15(12)18/h2-8,13H,9H2,1H3.
What are the key properties of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene?
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-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]-2,3-dichlorobenzene is sourced from PubChem (CID 55224657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).