3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene

C18H18 — CID 144946680

IUPAC3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene
SMILESC=C1CC(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H18/c1-14-13-16(18-10-6-5-9-17(14)18)12-11-15-7-3-2-4-8-15/h2-10,16H,1,11-13H2
InChIKeyNIJHSNOMLDFQQW-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.82
Rot. Bonds3

About 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene

3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene (PubChem CID 144946680) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene.

Molecular Properties

Compound Name3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene
PubChem CID144946680
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene
SMILESC=C1CC(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H18/c1-14-13-16(18-10-6-5-9-17(14)18)12-11-15-7-3-2-4-8-15/h2-10,16H,1,11-13H2
InChIKeyNIJHSNOMLDFQQW-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene?
The IUPAC name of 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene (CID 144946680) is 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene.
What is the SMILES notation for 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene?
The canonical SMILES for 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene is C=C1CC(CCc2ccccc2)c2ccccc21.
What is the InChIKey of 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene?
The InChIKey is NIJHSNOMLDFQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-14-13-16(18-10-6-5-9-17(14)18)12-11-15-7-3-2-4-8-15/h2-10,16H,1,11-13H2.
What are the key properties of 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene?
3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene has a molecular weight of 234.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(2-phenylethyl)-1,2-dihydroindene is sourced from PubChem (CID 144946680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).