7-(4-tert-butylphenyl)-1H-indene

C19H20 — CID 91144251

IUPAC7-(4-tert-butylphenyl)-1H-indene
SMILESCC(C)(C)c1ccc(-c2cccc3c2CC=C3)cc1
InChIInChI=1S/C19H20/c1-19(2,3)16-12-10-15(11-13-16)18-9-5-7-14-6-4-8-17(14)18/h4-7,9-13H,8H2,1-3H3
InChIKeyBBDKXQBEDJOSNU-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.22
Rot. Bonds1

About 7-(4-tert-butylphenyl)-1H-indene

7-(4-tert-butylphenyl)-1H-indene (PubChem CID 91144251) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-1H-indene.

Molecular Properties

Compound Name7-(4-tert-butylphenyl)-1H-indene
PubChem CID91144251
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name7-(4-tert-butylphenyl)-1H-indene
SMILESCC(C)(C)c1ccc(-c2cccc3c2CC=C3)cc1
InChIInChI=1S/C19H20/c1-19(2,3)16-12-10-15(11-13-16)18-9-5-7-14-6-4-8-17(14)18/h4-7,9-13H,8H2,1-3H3
InChIKeyBBDKXQBEDJOSNU-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-1H-indene?
The IUPAC name of 7-(4-tert-butylphenyl)-1H-indene (CID 91144251) is 7-(4-tert-butylphenyl)-1H-indene.
What is the SMILES notation for 7-(4-tert-butylphenyl)-1H-indene?
The canonical SMILES for 7-(4-tert-butylphenyl)-1H-indene is CC(C)(C)c1ccc(-c2cccc3c2CC=C3)cc1.
What is the InChIKey of 7-(4-tert-butylphenyl)-1H-indene?
The InChIKey is BBDKXQBEDJOSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-19(2,3)16-12-10-15(11-13-16)18-9-5-7-14-6-4-8-17(14)18/h4-7,9-13H,8H2,1-3H3.
What are the key properties of 7-(4-tert-butylphenyl)-1H-indene?
7-(4-tert-butylphenyl)-1H-indene has a molecular weight of 248.37 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylphenyl)-1H-indene is sourced from PubChem (CID 91144251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).