4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene

C18H19BrCl2 — CID 66259978

IUPAC4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene
SMILESCCC(C)(C)c1ccc(C(Br)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H19BrCl2/c1-4-18(2,3)14-8-5-12(6-9-14)17(19)13-7-10-15(20)16(21)11-13/h5-11,17H,4H2,1-3H3
InChIKeyGVKGHHCHIFQBIJ-UHFFFAOYSA-N
MW386.16 g/mol
LogP7.17
Rot. Bonds4

About 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene

4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene (PubChem CID 66259978) has the molecular formula C18H19BrCl2 and a molecular weight of 386.16 g/mol. Its IUPAC name is 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene
PubChem CID66259978
Molecular FormulaC18H19BrCl2
Molecular Weight386.16 g/mol
Exact Mass384.00
IUPAC Name4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene
SMILESCCC(C)(C)c1ccc(C(Br)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H19BrCl2/c1-4-18(2,3)14-8-5-12(6-9-14)17(19)13-7-10-15(20)16(21)11-13/h5-11,17H,4H2,1-3H3
InChIKeyGVKGHHCHIFQBIJ-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.16
LogP ≤ 57.17
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

1,3-dibromo-5-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]benzene
CID 107980960
2-bromo-1-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-4-chlorobenzene
CID 107991967
3-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]furan
CID 66259979
4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 63437327
4-[bromo-(3,4-dichlorophenyl)methyl]-2-methylfuran
CID 114822530
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
4-bromo-1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2-fluorobenzene
CID 66257841
1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene
CID 66260360
1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 134402395
4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
CID 55197637
1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene
CID 63444752

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene (CID 66259978) is 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene is CCC(C)(C)c1ccc(C(Br)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene?
The InChIKey is GVKGHHCHIFQBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrCl2/c1-4-18(2,3)14-8-5-12(6-9-14)17(19)13-7-10-15(20)16(21)11-13/h5-11,17H,4H2,1-3H3.
What are the key properties of 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene?
4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene has a molecular weight of 386.16 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene is sourced from PubChem (CID 66259978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).