2-(3-phenylprop-2-enyl)-3aH-indene

C18H16 — CID 154422820

IUPAC2-(3-phenylprop-2-enyl)-3aH-indene
SMILESC1=CC2=CC(CC=Cc3ccccc3)=CC2C=C1
InChIInChI=1S/C18H16/c1-2-7-15(8-3-1)9-6-10-16-13-17-11-4-5-12-18(17)14-16/h1-9,11-14,17H,10H2
InChIKeyNVHCAVFAKBNEMQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.70
Rot. Bonds3

About 2-(3-phenylprop-2-enyl)-3aH-indene

2-(3-phenylprop-2-enyl)-3aH-indene (PubChem CID 154422820) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enyl)-3aH-indene.

Molecular Properties

Compound Name2-(3-phenylprop-2-enyl)-3aH-indene
PubChem CID154422820
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name2-(3-phenylprop-2-enyl)-3aH-indene
SMILESC1=CC2=CC(CC=Cc3ccccc3)=CC2C=C1
InChIInChI=1S/C18H16/c1-2-7-15(8-3-1)9-6-10-16-13-17-11-4-5-12-18(17)14-16/h1-9,11-14,17H,10H2
InChIKeyNVHCAVFAKBNEMQ-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3aH-indene
CID 23399067
2-[2-(3aH-inden-2-yl)ethyl]-1H-indene
CID 173243357
3-(3aH-inden-2-ylmethyl)-1H-pyrrole
CID 140974375
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
2-[2-(3aH-inden-2-yl)ethyl]-5H-indene
CID 176529830
2-(3aH-inden-2-yl)pyridine;ethane
CID 91435728
2-(3-phenylprop-2-enyl)-5-sulfonylcyclohexa-1,3-diene
CID 173275226
2-(2-methylsulfanylphenyl)-3aH-indene
CID 155004155
1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene
CID 70518240
CID 140512150
CID 140512150

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enyl)-3aH-indene?
The IUPAC name of 2-(3-phenylprop-2-enyl)-3aH-indene (CID 154422820) is 2-(3-phenylprop-2-enyl)-3aH-indene.
What is the SMILES notation for 2-(3-phenylprop-2-enyl)-3aH-indene?
The canonical SMILES for 2-(3-phenylprop-2-enyl)-3aH-indene is C1=CC2=CC(CC=Cc3ccccc3)=CC2C=C1.
What is the InChIKey of 2-(3-phenylprop-2-enyl)-3aH-indene?
The InChIKey is NVHCAVFAKBNEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-2-7-15(8-3-1)9-6-10-16-13-17-11-4-5-12-18(17)14-16/h1-9,11-14,17H,10H2.
What are the key properties of 2-(3-phenylprop-2-enyl)-3aH-indene?
2-(3-phenylprop-2-enyl)-3aH-indene has a molecular weight of 232.33 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enyl)-3aH-indene is sourced from PubChem (CID 154422820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).