3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene

C20H22 — CID 173085149

IUPAC3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene
SMILESCCC1=C(c2ccc(C)c(C)c2C)Cc2ccccc21
InChIInChI=1S/C20H22/c1-5-17-19-9-7-6-8-16(19)12-20(17)18-11-10-13(2)14(3)15(18)4/h6-11H,5,12H2,1-4H3
InChIKeyUCMGFXDVPXMNBB-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.49
Rot. Bonds2

About 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene

3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene (PubChem CID 173085149) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene.

Molecular Properties

Compound Name3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene
PubChem CID173085149
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene
SMILESCCC1=C(c2ccc(C)c(C)c2C)Cc2ccccc21
InChIInChI=1S/C20H22/c1-5-17-19-9-7-6-8-16(19)12-20(17)18-11-10-13(2)14(3)15(18)4/h6-11H,5,12H2,1-4H3
InChIKeyUCMGFXDVPXMNBB-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173084970
3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole
CID 173085144
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene
CID 173084225
2-methyl-1-[2-(2-methyl-9H-fluoren-1-yl)ethyl]-9H-fluorene
CID 22912619
2-ethenyl-3-ethyl-1H-indene
CID 142569795
ethanamine;9H-fluorene
CID 158316259
3-methyl-2-(3-propyl-1H-inden-2-yl)furan
CID 173084813
bis(9H-fluorene);pentane
CID 159146463
3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole
CID 173084987
1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
CID 22912623

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene?
The IUPAC name of 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene (CID 173085149) is 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene.
What is the SMILES notation for 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene?
The canonical SMILES for 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene is CCC1=C(c2ccc(C)c(C)c2C)Cc2ccccc21.
What is the InChIKey of 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene?
The InChIKey is UCMGFXDVPXMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-5-17-19-9-7-6-8-16(19)12-20(17)18-11-10-13(2)14(3)15(18)4/h6-11H,5,12H2,1-4H3.
What are the key properties of 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene?
3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene is sourced from PubChem (CID 173085149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).