1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene

C14H11BrCl2 — CID 63543130

IUPAC1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
SMILESClc1ccc(CC(Br)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H11BrCl2/c15-14(11-2-1-3-13(17)9-11)8-10-4-6-12(16)7-5-10/h1-7,9,14H,8H2
InChIKeyMWAGVJIDZUPFCS-UHFFFAOYSA-N
MW330.05 g/mol
LogP5.67
Rot. Bonds3

About 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene

1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene (PubChem CID 63543130) has the molecular formula C14H11BrCl2 and a molecular weight of 330.05 g/mol. Its IUPAC name is 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
PubChem CID63543130
Molecular FormulaC14H11BrCl2
Molecular Weight330.05 g/mol
Exact Mass327.94
IUPAC Name1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
SMILESClc1ccc(CC(Br)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H11BrCl2/c15-14(11-2-1-3-13(17)9-11)8-10-4-6-12(16)7-5-10/h1-7,9,14H,8H2
InChIKeyMWAGVJIDZUPFCS-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.05
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-(3-chlorophenyl)ethanol
CID 22121388
4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
1-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-ethylhydrazine
CID 91267468
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-iodobenzene
CID 63543126
2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene
CID 107965781
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
CID 63018759
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
CID 63437552
4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-iodothiophene
CID 79691582

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene?
The IUPAC name of 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene (CID 63543130) is 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene is Clc1ccc(CC(Br)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene?
The InChIKey is MWAGVJIDZUPFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2/c15-14(11-2-1-3-13(17)9-11)8-10-4-6-12(16)7-5-10/h1-7,9,14H,8H2.
What are the key properties of 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene?
1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene has a molecular weight of 330.05 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene is sourced from PubChem (CID 63543130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).