3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene

C17H17BrCl2 — CID 107955917

IUPAC3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Cl)c2cc(Cl)cc(Br)c2)c1C
InChIInChI=1S/C17H17BrCl2/c1-9-5-10(2)12(4)16(11(9)3)17(20)13-6-14(18)8-15(19)7-13/h5-8,17H,1-4H3
InChIKeyGBIXIQWJINKQPR-UHFFFAOYSA-N
MW372.13 g/mol
LogP6.66
Rot. Bonds2

About 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene

3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene (PubChem CID 107955917) has the molecular formula C17H17BrCl2 and a molecular weight of 372.13 g/mol. Its IUPAC name is 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
PubChem CID107955917
Molecular FormulaC17H17BrCl2
Molecular Weight372.13 g/mol
Exact Mass369.99
IUPAC Name3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Cl)c2cc(Cl)cc(Br)c2)c1C
InChIInChI=1S/C17H17BrCl2/c1-9-5-10(2)12(4)16(11(9)3)17(20)13-6-14(18)8-15(19)7-13/h5-8,17H,1-4H3
InChIKeyGBIXIQWJINKQPR-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.13
LogP ≤ 56.66
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

3-[chloro-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980826
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 107959015
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
CID 107955839
3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442400
3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433601
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980891
2-[(3-bromo-5-chlorophenyl)-chloromethyl]-5-tert-butylthiophene
CID 114020890
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
CID 107955938

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene (CID 107955917) is 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(C(Cl)c2cc(Cl)cc(Br)c2)c1C.
What is the InChIKey of 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene?
The InChIKey is GBIXIQWJINKQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrCl2/c1-9-5-10(2)12(4)16(11(9)3)17(20)13-6-14(18)8-15(19)7-13/h5-8,17H,1-4H3.
What are the key properties of 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene?
3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene has a molecular weight of 372.13 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 107955917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).