1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene

C18H21Br — CID 144676488

IUPAC1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene
SMILESCCc1c(C)c(C)c(Br)c(C)c1-c1ccc(C)cc1
InChIInChI=1S/C18H21Br/c1-6-16-12(3)13(4)18(19)14(5)17(16)15-9-7-11(2)8-10-15/h7-10H,6H2,1-5H3
InChIKeyDXGHQJMLJSDCAZ-UHFFFAOYSA-N
MW317.27 g/mol
LogP5.91
Rot. Bonds2

About 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene

1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene (PubChem CID 144676488) has the molecular formula C18H21Br and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene
PubChem CID144676488
Molecular FormulaC18H21Br
Molecular Weight317.27 g/mol
Exact Mass316.08
IUPAC Name1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene
SMILESCCc1c(C)c(C)c(Br)c(C)c1-c1ccc(C)cc1
InChIInChI=1S/C18H21Br/c1-6-16-12(3)13(4)18(19)14(5)17(16)15-9-7-11(2)8-10-15/h7-10H,6H2,1-5H3
InChIKeyDXGHQJMLJSDCAZ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.27
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
CID 140985823
1,2,4,5-tetrabromo-3,6-dimethylbenzene;1,4-xylene
CID 159795233
1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
CID 132604288
9-bromo-10-(4-methylphenyl)phenanthrene
CID 155481150
1-[4-[5-ethyl-4,7-dimethyl-6-(4-methylphenyl)-1,3-dihydroisoindole-2-carbonyl]piperazin-1-yl]ethanone
CID 134332475
1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene
CID 87780827
1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene
CID 173306177
[3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol
CID 22005230
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
2-ethyl-3,4,5-trimethyl-6-phenylbenzenethiol
CID 140644848
methane;propane;1,4-xylene
CID 143560264
methane;propane;1,4-xylene
CID 160778309

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene?
The IUPAC name of 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene (CID 144676488) is 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene.
What is the SMILES notation for 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene?
The canonical SMILES for 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene is CCc1c(C)c(C)c(Br)c(C)c1-c1ccc(C)cc1.
What is the InChIKey of 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene?
The InChIKey is DXGHQJMLJSDCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br/c1-6-16-12(3)13(4)18(19)14(5)17(16)15-9-7-11(2)8-10-15/h7-10H,6H2,1-5H3.
What are the key properties of 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene?
1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene has a molecular weight of 317.27 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene is sourced from PubChem (CID 144676488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).