1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene

C21H28 — CID 21350453

IUPAC1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene
SMILESCc1cc(C)c(C(C)(C)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C21H28/c1-13-9-17(5)19(11-15(13)3)21(7,8)20-12-16(4)14(2)10-18(20)6/h9-12H,1-8H3
InChIKeySSHXKOTVCRBUIV-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.86
Rot. Bonds2

About 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene

1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene (PubChem CID 21350453) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene
PubChem CID21350453
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene
SMILESCc1cc(C)c(C(C)(C)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C21H28/c1-13-9-17(5)19(11-15(13)3)21(7,8)20-12-16(4)14(2)10-18(20)6/h9-12H,1-8H3
InChIKeySSHXKOTVCRBUIV-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene
CID 116841558
N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine
CID 82281488
1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,4,5-trimethylbenzene;titanium(4+);trichloride
CID 173385190
(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol
CID 96823487
3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
CID 80502709
methane;1,2,4,5-tetramethylbenzene
CID 162125793
5-[2-(2,4,5-trimethylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
CID 82488584
1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 64985168
4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol
CID 64990325
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
CID 115226401
3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol
CID 64984866

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene?
The IUPAC name of 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene (CID 21350453) is 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene is Cc1cc(C)c(C(C)(C)c2cc(C)c(C)cc2C)cc1C.
What is the InChIKey of 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene?
The InChIKey is SSHXKOTVCRBUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-13-9-17(5)19(11-15(13)3)21(7,8)20-12-16(4)14(2)10-18(20)6/h9-12H,1-8H3.
What are the key properties of 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene?
1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene has a molecular weight of 280.45 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 21350453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).