1H-indene;2-methylprop-1-enylbenzene

C19H20 — CID 159355673

IUPAC1H-indene;2-methylprop-1-enylbenzene
SMILESC1=Cc2ccccc2C1.CC(C)=Cc1ccccc1
InChIInChI=1S/C10H12.C9H8/c1-9(2)8-10-6-4-3-5-7-10;1-2-5-9-7-3-6-8(9)4-1/h3-8H,1-2H3;1-6H,7H2
InChIKeyLHWSQOZOSFVTTQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.37
Rot. Bonds1

About 1H-indene;2-methylprop-1-enylbenzene

1H-indene;2-methylprop-1-enylbenzene (PubChem CID 159355673) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1H-indene;2-methylprop-1-enylbenzene.

Molecular Properties

Compound Name1H-indene;2-methylprop-1-enylbenzene
PubChem CID159355673
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1H-indene;2-methylprop-1-enylbenzene
SMILESC1=Cc2ccccc2C1.CC(C)=Cc1ccccc1
InChIInChI=1S/C10H12.C9H8/c1-9(2)8-10-6-4-3-5-7-10;1-2-5-9-7-3-6-8(9)4-1/h3-8H,1-2H3;1-6H,7H2
InChIKeyLHWSQOZOSFVTTQ-UHFFFAOYSA-N
XLogP5.37
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 ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-indene;2-methylprop-1-enylbenzene?
The IUPAC name of 1H-indene;2-methylprop-1-enylbenzene (CID 159355673) is 1H-indene;2-methylprop-1-enylbenzene.
What is the SMILES notation for 1H-indene;2-methylprop-1-enylbenzene?
The canonical SMILES for 1H-indene;2-methylprop-1-enylbenzene is C1=Cc2ccccc2C1.CC(C)=Cc1ccccc1.
What is the InChIKey of 1H-indene;2-methylprop-1-enylbenzene?
The InChIKey is LHWSQOZOSFVTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H8/c1-9(2)8-10-6-4-3-5-7-10;1-2-5-9-7-3-6-8(9)4-1/h3-8H,1-2H3;1-6H,7H2.
What are the key properties of 1H-indene;2-methylprop-1-enylbenzene?
1H-indene;2-methylprop-1-enylbenzene has a molecular weight of 248.37 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene;2-methylprop-1-enylbenzene is sourced from PubChem (CID 159355673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).