1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene

C19H22BrCl — CID 63438087

IUPAC1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(Br)Cc2cccc(Cl)c2)c(C)c1C
InChIInChI=1S/C19H22BrCl/c1-11-12(2)14(4)19(15(5)13(11)3)18(20)10-16-7-6-8-17(21)9-16/h6-9,18H,10H2,1-5H3
InChIKeyQFZMKFROBISZBQ-UHFFFAOYSA-N
MW365.74 g/mol
LogP6.56
Rot. Bonds3

About 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene

1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene (PubChem CID 63438087) has the molecular formula C19H22BrCl and a molecular weight of 365.74 g/mol. Its IUPAC name is 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene
PubChem CID63438087
Molecular FormulaC19H22BrCl
Molecular Weight365.74 g/mol
Exact Mass364.06
IUPAC Name1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(Br)Cc2cccc(Cl)c2)c(C)c1C
InChIInChI=1S/C19H22BrCl/c1-11-12(2)14(4)19(15(5)13(11)3)18(20)10-16-7-6-8-17(21)9-16/h6-9,18H,10H2,1-5H3
InChIKeyQFZMKFROBISZBQ-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 56.56
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

1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63529741
2-[1-bromo-2-(3-chlorophenyl)ethyl]-3-chloro-4-methylthiophene
CID 103405768
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050200
1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene
CID 63530424
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
CID 63441796
3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
CID 63018759
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-3-methylbenzene
CID 66040904
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443710

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene (CID 63438087) is 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene is Cc1c(C)c(C)c(C(Br)Cc2cccc(Cl)c2)c(C)c1C.
What is the InChIKey of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene?
The InChIKey is QFZMKFROBISZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrCl/c1-11-12(2)14(4)19(15(5)13(11)3)18(20)10-16-7-6-8-17(21)9-16/h6-9,18H,10H2,1-5H3.
What are the key properties of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene?
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene has a molecular weight of 365.74 g/mol, XLogP of 6.56, 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-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 63438087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).