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

C17H17BrCl2 — CID 63442400

IUPAC3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Br)c2cc(Cl)cc(Cl)c2)c1C
InChIInChI=1S/C17H17BrCl2/c1-9-5-10(2)12(4)16(11(9)3)17(18)13-6-14(19)8-15(20)7-13/h5-8,17H,1-4H3
InChIKeyDQINTMUCDUOURC-UHFFFAOYSA-N
MW372.13 g/mol
LogP6.71
Rot. Bonds2

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

3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene (PubChem CID 63442400) has the molecular formula C17H17BrCl2 and a molecular weight of 372.13 g/mol. Its IUPAC name is 3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene
PubChem CID63442400
Molecular FormulaC17H17BrCl2
Molecular Weight372.13 g/mol
Exact Mass369.99
IUPAC Name3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Br)c2cc(Cl)cc(Cl)c2)c1C
InChIInChI=1S/C17H17BrCl2/c1-9-5-10(2)12(4)16(11(9)3)17(18)13-6-14(19)8-15(20)7-13/h5-8,17H,1-4H3
InChIKeyDQINTMUCDUOURC-UHFFFAOYSA-N
XLogP6.71
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 ≤ 56.71
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-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980891
3-[bromo-(3,4-dimethylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442265
3-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107991664
3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107955917
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene
CID 63442261
5-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 81324231
3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442220
3-[bromo-(2,4,6-trifluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 65100639
1-[bromo-(3,5-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438831
1-[bromo-(3,5-difluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437997
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107959104

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene (CID 63442400) is 3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(C(Br)c2cc(Cl)cc(Cl)c2)c1C.
What is the InChIKey of 3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene?
The InChIKey is DQINTMUCDUOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrCl2/c1-9-5-10(2)12(4)16(11(9)3)17(18)13-6-14(19)8-15(20)7-13/h5-8,17H,1-4H3.
What are the key properties of 3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene?
3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene has a molecular weight of 372.13 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 63442400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).