4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene

C20H24 — CID 160681776

IUPAC4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2C1
InChIInChI=1S/C20H24/c1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyJIABISFPYPVGOA-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.39
Rot. Bonds1

About 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene

4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene (PubChem CID 160681776) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene
PubChem CID160681776
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2C1
InChIInChI=1S/C20H24/c1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyJIABISFPYPVGOA-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene (CID 160681776) is 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene is CC1Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2C1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is JIABISFPYPVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene?
4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 264.41 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 160681776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).