2-tert-butyl-4-phenyl-1H-indene

C19H20 — CID 87188208

IUPAC2-tert-butyl-4-phenyl-1H-indene
SMILESCC(C)(C)C1=Cc2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C19H20/c1-19(2,3)16-12-15-10-7-11-17(18(15)13-16)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3
InChIKeyNRKRPHPFRVKMQD-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.34
Rot. Bonds1

About 2-tert-butyl-4-phenyl-1H-indene

2-tert-butyl-4-phenyl-1H-indene (PubChem CID 87188208) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-tert-butyl-4-phenyl-1H-indene.

Molecular Properties

Compound Name2-tert-butyl-4-phenyl-1H-indene
PubChem CID87188208
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name2-tert-butyl-4-phenyl-1H-indene
SMILESCC(C)(C)C1=Cc2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C19H20/c1-19(2,3)16-12-15-10-7-11-17(18(15)13-16)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3
InChIKeyNRKRPHPFRVKMQD-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenyl-1H-indene?
The IUPAC name of 2-tert-butyl-4-phenyl-1H-indene (CID 87188208) is 2-tert-butyl-4-phenyl-1H-indene.
What is the SMILES notation for 2-tert-butyl-4-phenyl-1H-indene?
The canonical SMILES for 2-tert-butyl-4-phenyl-1H-indene is CC(C)(C)C1=Cc2c(cccc2-c2ccccc2)C1.
What is the InChIKey of 2-tert-butyl-4-phenyl-1H-indene?
The InChIKey is NRKRPHPFRVKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-19(2,3)16-12-15-10-7-11-17(18(15)13-16)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-tert-butyl-4-phenyl-1H-indene?
2-tert-butyl-4-phenyl-1H-indene has a molecular weight of 248.37 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-phenyl-1H-indene is sourced from PubChem (CID 87188208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).