1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene

C23H26 — CID 71373786

IUPAC1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene
SMILESCC(C)=CC1=C(c2ccccc2)C(C(C)(C)C)c2ccccc21
InChIInChI=1S/C23H26/c1-16(2)15-20-18-13-9-10-14-19(18)22(23(3,4)5)21(20)17-11-7-6-8-12-17/h6-15,22H,1-5H3
InChIKeyHZDYZFOWQFYERI-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.71
Rot. Bonds2

About 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene

1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene (PubChem CID 71373786) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene.

Molecular Properties

Compound Name1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene
PubChem CID71373786
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene
SMILESCC(C)=CC1=C(c2ccccc2)C(C(C)(C)C)c2ccccc21
InChIInChI=1S/C23H26/c1-16(2)15-20-18-13-9-10-14-19(18)22(23(3,4)5)21(20)17-11-7-6-8-12-17/h6-15,22H,1-5H3
InChIKeyHZDYZFOWQFYERI-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene?
The IUPAC name of 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene (CID 71373786) is 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene.
What is the SMILES notation for 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene?
The canonical SMILES for 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene is CC(C)=CC1=C(c2ccccc2)C(C(C)(C)C)c2ccccc21.
What is the InChIKey of 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene?
The InChIKey is HZDYZFOWQFYERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-16(2)15-20-18-13-9-10-14-19(18)22(23(3,4)5)21(20)17-11-7-6-8-12-17/h6-15,22H,1-5H3.
What are the key properties of 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene?
1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene has a molecular weight of 302.46 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene is sourced from PubChem (CID 71373786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).