4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene

C15H13BrCl2 — CID 55197941

IUPAC4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
SMILESCCc1ccc(C(Cl)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H13BrCl2/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h3-9,15H,2H2,1H3
InChIKeyWPBYXTDMPSOSRQ-UHFFFAOYSA-N
MW344.08 g/mol
LogP5.99
Rot. Bonds3

About 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene

4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene (PubChem CID 55197941) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
PubChem CID55197941
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
SMILESCCc1ccc(C(Cl)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H13BrCl2/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h3-9,15H,2H2,1H3
InChIKeyWPBYXTDMPSOSRQ-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.08
LogP ≤ 55.99
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

4-bromo-1-[(4-butan-2-ylphenyl)-chloromethyl]-2-chlorobenzene
CID 63430121
1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 55199070
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
2-bromo-4-[(4-bromo-2-chlorophenyl)-chloromethyl]-1-propoxybenzene
CID 104662005
4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55198727
4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene
CID 82890709
1-bromo-4-[chloro-(2-chlorophenyl)methyl]benzene
CID 63429160
1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 17300793
1-[(4-butylphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63431388
1-bromo-4-ethylbenzene
CID 15313
4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
CID 63439911
1-[bromo-(4-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319679

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene?
The IUPAC name of 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene (CID 55197941) is 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene?
The canonical SMILES for 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene is CCc1ccc(C(Cl)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene?
The InChIKey is WPBYXTDMPSOSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h3-9,15H,2H2,1H3.
What are the key properties of 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene?
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene has a molecular weight of 344.08 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene is sourced from PubChem (CID 55197941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).