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

C16H15BrCl2 — CID 55198727

IUPAC4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)c1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C16H15BrCl2/c1-10(2)11-3-5-12(6-4-11)16(19)14-9-13(17)7-8-15(14)18/h3-10,16H,1-2H3
InChIKeyMIBOJSUUXVXLOA-UHFFFAOYSA-N
MW358.11 g/mol
LogP6.55
Rot. Bonds3

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

4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene (PubChem CID 55198727) has the molecular formula C16H15BrCl2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
PubChem CID55198727
Molecular FormulaC16H15BrCl2
Molecular Weight358.11 g/mol
Exact Mass355.97
IUPAC Name4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)c1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C16H15BrCl2/c1-10(2)11-3-5-12(6-4-11)16(19)14-9-13(17)7-8-15(14)18/h3-10,16H,1-2H3
InChIKeyMIBOJSUUXVXLOA-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.11
LogP ≤ 56.55
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-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
1-bromo-4-[chloro-(2-chlorophenyl)methyl]benzene
CID 63429160
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
4-bromo-1-[(4-butan-2-ylphenyl)-chloromethyl]-2-chlorobenzene
CID 63430121
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
1-bromo-2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 105399635
1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 55199070
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
CID 107955847

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene (CID 55198727) is 4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene is CC(C)c1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene?
The InChIKey is MIBOJSUUXVXLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2/c1-10(2)11-3-5-12(6-4-11)16(19)14-9-13(17)7-8-15(14)18/h3-10,16H,1-2H3.
What are the key properties of 4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene?
4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene has a molecular weight of 358.11 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene is sourced from PubChem (CID 55198727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).