2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene

C15H13BrCl2O — CID 104661483

IUPAC2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Cl)c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C15H13BrCl2O/c1-2-19-14-7-6-11(9-13(14)16)15(18)10-4-3-5-12(17)8-10/h3-9,15H,2H2,1H3
InChIKeyPLGXTOLPXWUXGB-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.83
Rot. Bonds4

About 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene

2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene (PubChem CID 104661483) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
PubChem CID104661483
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Cl)c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C15H13BrCl2O/c1-2-19-14-7-6-11(9-13(14)16)15(18)10-4-3-5-12(17)8-10/h3-9,15H,2H2,1H3
InChIKeyPLGXTOLPXWUXGB-UHFFFAOYSA-N
XLogP5.83
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 ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene 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-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2-chloro-3-methylbenzene
CID 104661490
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 104662002
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029
2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene
CID 104662297
2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene
CID 104661476
2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene
CID 104661629
2-bromo-4-(1-chlorobutyl)-1-ethoxybenzene
CID 104661505
4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
CID 61080986
1-(3-bromo-4-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 104657460
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene?
The IUPAC name of 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene (CID 104661483) is 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene.
What is the SMILES notation for 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene?
The canonical SMILES for 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene is CCOc1ccc(C(Cl)c2cccc(Cl)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene?
The InChIKey is PLGXTOLPXWUXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-2-19-14-7-6-11(9-13(14)16)15(18)10-4-3-5-12(17)8-10/h3-9,15H,2H2,1H3.
What are the key properties of 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene?
2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene has a molecular weight of 360.08 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene is sourced from PubChem (CID 104661483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).