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

C22H26 — CID 173084970

IUPAC3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
SMILESCCCCC1=C(c2ccc(C)c(C)c2C)Cc2ccccc21
InChIInChI=1S/C22H26/c1-5-6-10-21-20-11-8-7-9-18(20)14-22(21)19-13-12-15(2)16(3)17(19)4/h7-9,11-13H,5-6,10,14H2,1-4H3
InChIKeyZILVVRMVOMHAJC-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.27
Rot. Bonds4

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

3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene (PubChem CID 173084970) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene.

Molecular Properties

Compound Name3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
PubChem CID173084970
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
SMILESCCCCC1=C(c2ccc(C)c(C)c2C)Cc2ccccc21
InChIInChI=1S/C22H26/c1-5-6-10-21-20-11-8-7-9-18(20)14-22(21)19-13-12-15(2)16(3)17(19)4/h7-9,11-13H,5-6,10,14H2,1-4H3
InChIKeyZILVVRMVOMHAJC-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.27
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-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173085149
3-butyl-2-methyl-1H-indene
CID 15422807
2-(4-methylphenyl)-3-octyl-1H-indene
CID 21095685
1-(3-pentyl-1H-inden-2-yl)naphthalene
CID 173084421
3-butyl-2-propyl-1H-indene
CID 141343467
3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole
CID 173085144
8,9-dibutyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 102005238
3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
bis(9H-fluorene);pentane
CID 159146463
bis(3-butyl-1H-inden-2-yl)-dimethylsilane
CID 22395100
3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene
CID 173084225
bis(9H-fluorene);methane;pentane
CID 158815702

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene?
The IUPAC name of 3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene (CID 173084970) is 3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene.
What is the SMILES notation for 3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene?
The canonical SMILES for 3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene is CCCCC1=C(c2ccc(C)c(C)c2C)Cc2ccccc21.
What is the InChIKey of 3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene?
The InChIKey is ZILVVRMVOMHAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-5-6-10-21-20-11-8-7-9-18(20)14-22(21)19-13-12-15(2)16(3)17(19)4/h7-9,11-13H,5-6,10,14H2,1-4H3.
What are the key properties of 3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene?
3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene has a molecular weight of 290.45 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene is sourced from PubChem (CID 173084970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).