2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)

C18H21Y+2 — CID 20599386

IUPAC2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)
SMILESCc1cc(C)c(Cc2c[c-]c(C)c(C)c2)c(C)c1.[Y+3]
InChIInChI=1S/C18H21.Y/c1-12-8-15(4)18(16(5)9-12)11-17-7-6-13(2)14(3)10-17;/h7-10H,11H2,1-5H3;/q-1;+3
InChIKeyACURTVLTEBQFSS-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.62
Rot. Bonds2

About 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)

2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+) (PubChem CID 20599386) has the molecular formula C18H21Y+2 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+).

Molecular Properties

Compound Name2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)
PubChem CID20599386
Molecular FormulaC18H21Y+2
Molecular Weight326.27 g/mol
Exact Mass326.07
IUPAC Name2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)
SMILESCc1cc(C)c(Cc2c[c-]c(C)c(C)c2)c(C)c1.[Y+3]
InChIInChI=1S/C18H21.Y/c1-12-8-15(4)18(16(5)9-12)11-17-7-6-13(2)14(3)10-17;/h7-10H,11H2,1-5H3;/q-1;+3
InChIKeyACURTVLTEBQFSS-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+) 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

2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 150549971
1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene
CID 118908539
6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene
CID 118908523
4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten
CID 147577515
4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten(2+)
CID 21015211
2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
2-hydroxy-N,N,3-trimethyl-5-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 20650419
1-(2-chloro-4,6-dimethylphenyl)-N-methylmethanamine
CID 84769264
4-[[4-[16-[4-[(4-aminophenyl)methyl]-3,5-dimethylphenyl]hexadecyl]-2,6-dimethylphenyl]methyl]aniline
CID 22920622
4-[[4-[6-[4-[(4-aminophenyl)methyl]-3,5-dimethylphenyl]hexyl]-2,6-dimethylphenyl]methyl]aniline
CID 22919219
2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 160889677

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)?
The IUPAC name of 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+) (CID 20599386) is 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+).
What is the SMILES notation for 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)?
The canonical SMILES for 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+) is Cc1cc(C)c(Cc2c[c-]c(C)c(C)c2)c(C)c1.[Y+3].
What is the InChIKey of 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)?
The InChIKey is ACURTVLTEBQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21.Y/c1-12-8-15(4)18(16(5)9-12)11-17-7-6-13(2)14(3)10-17;/h7-10H,11H2,1-5H3;/q-1;+3.
What are the key properties of 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)?
2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+) has a molecular weight of 326.27 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+) is sourced from PubChem (CID 20599386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).