1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene

C18H19BrCl2 — CID 63437653

IUPAC1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(Br)c2cc(Cl)ccc2Cl)c(C)c1C
InChIInChI=1S/C18H19BrCl2/c1-9-10(2)12(4)17(13(5)11(9)3)18(19)15-8-14(20)6-7-16(15)21/h6-8,18H,1-5H3
InChIKeyMGBQBLKCTWLOME-UHFFFAOYSA-N
MW386.16 g/mol
LogP7.02
Rot. Bonds2

About 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene

1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene (PubChem CID 63437653) has the molecular formula C18H19BrCl2 and a molecular weight of 386.16 g/mol. Its IUPAC name is 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
PubChem CID63437653
Molecular FormulaC18H19BrCl2
Molecular Weight386.16 g/mol
Exact Mass384.00
IUPAC Name1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(Br)c2cc(Cl)ccc2Cl)c(C)c1C
InChIInChI=1S/C18H19BrCl2/c1-9-10(2)12(4)17(13(5)11(9)3)18(19)15-8-14(20)6-7-16(15)21/h6-8,18H,1-5H3
InChIKeyMGBQBLKCTWLOME-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.16
LogP ≤ 57.02
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-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
CID 63444898
2-[bromo-(4-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63437551
2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018
1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
CID 113400098
2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432324
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203
2-[bromo-(4-methoxyphenyl)methyl]-1,4-dichlorobenzene
CID 63436956
(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43378947
2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene
CID 55198580
1-[bromo-(4-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 114028124
(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65152971

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene (CID 63437653) is 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene is Cc1c(C)c(C)c(C(Br)c2cc(Cl)ccc2Cl)c(C)c1C.
What is the InChIKey of 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The InChIKey is MGBQBLKCTWLOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrCl2/c1-9-10(2)12(4)17(13(5)11(9)3)18(19)15-8-14(20)6-7-16(15)21/h6-8,18H,1-5H3.
What are the key properties of 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene has a molecular weight of 386.16 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 63437653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).