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

C17H17Br3 — CID 107980891

IUPAC3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Br)c2cc(Br)cc(Br)c2)c1C
InChIInChI=1S/C17H17Br3/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
InChIKeyROZHPNAPMUPFGP-UHFFFAOYSA-N
MW461.04 g/mol
LogP6.93
Rot. Bonds2

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

3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene (PubChem CID 107980891) has the molecular formula C17H17Br3 and a molecular weight of 461.04 g/mol. Its IUPAC name is 3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
PubChem CID107980891
Molecular FormulaC17H17Br3
Molecular Weight461.04 g/mol
Exact Mass457.89
IUPAC Name3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Br)c2cc(Br)cc(Br)c2)c1C
InChIInChI=1S/C17H17Br3/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
InChIKeyROZHPNAPMUPFGP-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.04
LogP ≤ 56.93
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-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442400
3-[chloro-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980826
3-[bromo-(3,4-dimethylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442265
3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene
CID 63442261
(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43107406
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-(4-chloro-3-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107991664
3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442220
3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107983519
3-[bromo-(2,4,6-trifluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 65100639
1-[bromo-(3,5-difluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437997

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene (CID 107980891) is 3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(C(Br)c2cc(Br)cc(Br)c2)c1C.
What is the InChIKey of 3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene?
The InChIKey is ROZHPNAPMUPFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br3/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-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene?
3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene has a molecular weight of 461.04 g/mol, XLogP of 6.93, 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-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 107980891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).