2-propan-2-yl-1H-indene;toluene

C19H22 — CID 161490529

IUPAC2-propan-2-yl-1H-indene;toluene
SMILESCC(C)C1=Cc2ccccc2C1.Cc1ccccc1
InChIInChI=1S/C12H14.C7H8/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7-5-3-2-4-6-7/h3-7,9H,8H2,1-2H3;2-6H,1H3
InChIKeyWFNWONDCKCJYSD-UHFFFAOYSA-N
MW250.39 g/mol
LogP5.28
Rot. Bonds1

About 2-propan-2-yl-1H-indene;toluene

2-propan-2-yl-1H-indene;toluene (PubChem CID 161490529) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-propan-2-yl-1H-indene;toluene.

Molecular Properties

Compound Name2-propan-2-yl-1H-indene;toluene
PubChem CID161490529
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name2-propan-2-yl-1H-indene;toluene
SMILESCC(C)C1=Cc2ccccc2C1.Cc1ccccc1
InChIInChI=1S/C12H14.C7H8/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7-5-3-2-4-6-7/h3-7,9H,8H2,1-2H3;2-6H,1H3
InChIKeyWFNWONDCKCJYSD-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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dilithium;hydride;2-methyl-1H-indene
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2-methyl-1H-indene;titanium(3+);trichloride
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7-phenyl-2-propan-2-yl-1H-indene
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1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride
CID 175590654
2,2-di(propan-2-yl)-1,3-dithiolane;2-(1H-inden-2-yl)propanedioic acid
CID 88641629
methylcyclotriacontapentadecaene
CID 101240530
benzene;toluene
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CID 22023820
2-(1H-inden-2-yl)butanoate
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-indene;toluene?
The IUPAC name of 2-propan-2-yl-1H-indene;toluene (CID 161490529) is 2-propan-2-yl-1H-indene;toluene.
What is the SMILES notation for 2-propan-2-yl-1H-indene;toluene?
The canonical SMILES for 2-propan-2-yl-1H-indene;toluene is CC(C)C1=Cc2ccccc2C1.Cc1ccccc1.
What is the InChIKey of 2-propan-2-yl-1H-indene;toluene?
The InChIKey is WFNWONDCKCJYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C7H8/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7-5-3-2-4-6-7/h3-7,9H,8H2,1-2H3;2-6H,1H3.
What are the key properties of 2-propan-2-yl-1H-indene;toluene?
2-propan-2-yl-1H-indene;toluene has a molecular weight of 250.39 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-indene;toluene is sourced from PubChem (CID 161490529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).