2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene

C21H17BrCl2O2 — CID 50999166

IUPAC2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(c1ccccc1Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H17BrCl2O2/c1-25-19-9-7-13(23)11-16(19)21(15-5-3-4-6-18(15)22)17-12-14(24)8-10-20(17)26-2/h3-12,21H,1-2H3
InChIKeyMDARWXOVZMLTIT-UHFFFAOYSA-N
MW452.18 g/mol
LogP6.95
Rot. Bonds5

About 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene

2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene (PubChem CID 50999166) has the molecular formula C21H17BrCl2O2 and a molecular weight of 452.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
PubChem CID50999166
Molecular FormulaC21H17BrCl2O2
Molecular Weight452.18 g/mol
Exact Mass449.98
IUPAC Name2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(c1ccccc1Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H17BrCl2O2/c1-25-19-9-7-13(23)11-16(19)21(15-5-3-4-6-18(15)22)17-12-14(24)8-10-20(17)26-2/h3-12,21H,1-2H3
InChIKeyMDARWXOVZMLTIT-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.18
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene 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

4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene
CID 56601836
(1S)-1-(2-bromophenyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 81383552
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
[(3-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105300924
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene
CID 104546392
2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
CID 82091358
1-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4031510
[(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105191297
1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63445141
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene (CID 50999166) is 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1C(c1ccccc1Br)c1cc(Cl)ccc1OC.
What is the InChIKey of 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene?
The InChIKey is MDARWXOVZMLTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2O2/c1-25-19-9-7-13(23)11-16(19)21(15-5-3-4-6-18(15)22)17-12-14(24)8-10-20(17)26-2/h3-12,21H,1-2H3.
What are the key properties of 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene?
2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene has a molecular weight of 452.18 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 50999166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).