1-methyl-3-phenyl-1H-indene

C16H14 — CID 609885

IUPAC1-methyl-3-phenyl-1H-indene
SMILESCC1C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-12H,1H3
InChIKeyJJUWUZOXEIZYON-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.24
Rot. Bonds1

About 1-methyl-3-phenyl-1H-indene

1-methyl-3-phenyl-1H-indene (PubChem CID 609885) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1H-indene.

Molecular Properties

Compound Name1-methyl-3-phenyl-1H-indene
PubChem CID609885
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-methyl-3-phenyl-1H-indene
SMILESCC1C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-12H,1H3
InChIKeyJJUWUZOXEIZYON-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1H-indene?
The IUPAC name of 1-methyl-3-phenyl-1H-indene (CID 609885) is 1-methyl-3-phenyl-1H-indene.
What is the SMILES notation for 1-methyl-3-phenyl-1H-indene?
The canonical SMILES for 1-methyl-3-phenyl-1H-indene is CC1C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-phenyl-1H-indene?
The InChIKey is JJUWUZOXEIZYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-12H,1H3.
What are the key properties of 1-methyl-3-phenyl-1H-indene?
1-methyl-3-phenyl-1H-indene has a molecular weight of 206.29 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1H-indene is sourced from PubChem (CID 609885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).