2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene

C24H30 — CID 18406157

IUPAC2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene
SMILESCC1C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=Cc2ccccc21
InChIInChI=1S/C24H30/c1-16-21-11-9-8-10-17(21)14-22(16)18-12-19(23(2,3)4)15-20(13-18)24(5,6)7/h8-16H,1-7H3
InChIKeyVRNKAWHPAGBWTM-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.94
Rot. Bonds1

About 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene

2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene (PubChem CID 18406157) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene.

Molecular Properties

Compound Name2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene
PubChem CID18406157
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene
SMILESCC1C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=Cc2ccccc21
InChIInChI=1S/C24H30/c1-16-21-11-9-8-10-17(21)14-22(16)18-12-19(23(2,3)4)15-20(13-18)24(5,6)7/h8-16H,1-7H3
InChIKeyVRNKAWHPAGBWTM-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.94
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 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene?
The IUPAC name of 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene (CID 18406157) is 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene.
What is the SMILES notation for 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene?
The canonical SMILES for 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene is CC1C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=Cc2ccccc21.
What is the InChIKey of 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene?
The InChIKey is VRNKAWHPAGBWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-16-21-11-9-8-10-17(21)14-22(16)18-12-19(23(2,3)4)15-20(13-18)24(5,6)7/h8-16H,1-7H3.
What are the key properties of 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene?
2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene has a molecular weight of 318.50 g/mol, XLogP of 6.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene is sourced from PubChem (CID 18406157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).