1,2-dimethyl-3-phenyl-1H-indene

C17H16 — CID 12633404

IUPAC1,2-dimethyl-3-phenyl-1H-indene
SMILESCC1=C(c2ccccc2)c2ccccc2C1C
InChIInChI=1S/C17H16/c1-12-13(2)17(14-8-4-3-5-9-14)16-11-7-6-10-15(12)16/h3-12H,1-2H3
InChIKeyKFLVWTYPXBMKRO-UHFFFAOYSA-N
MW220.32 g/mol
LogP4.63
Rot. Bonds1

About 1,2-dimethyl-3-phenyl-1H-indene

1,2-dimethyl-3-phenyl-1H-indene (PubChem CID 12633404) has the molecular formula C17H16 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,2-dimethyl-3-phenyl-1H-indene.

Molecular Properties

Compound Name1,2-dimethyl-3-phenyl-1H-indene
PubChem CID12633404
Molecular FormulaC17H16
Molecular Weight220.32 g/mol
Exact Mass220.13
IUPAC Name1,2-dimethyl-3-phenyl-1H-indene
SMILESCC1=C(c2ccccc2)c2ccccc2C1C
InChIInChI=1S/C17H16/c1-12-13(2)17(14-8-4-3-5-9-14)16-11-7-6-10-15(12)16/h3-12H,1-2H3
InChIKeyKFLVWTYPXBMKRO-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-phenyl-1H-indene?
The IUPAC name of 1,2-dimethyl-3-phenyl-1H-indene (CID 12633404) is 1,2-dimethyl-3-phenyl-1H-indene.
What is the SMILES notation for 1,2-dimethyl-3-phenyl-1H-indene?
The canonical SMILES for 1,2-dimethyl-3-phenyl-1H-indene is CC1=C(c2ccccc2)c2ccccc2C1C.
What is the InChIKey of 1,2-dimethyl-3-phenyl-1H-indene?
The InChIKey is KFLVWTYPXBMKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-13(2)17(14-8-4-3-5-9-14)16-11-7-6-10-15(12)16/h3-12H,1-2H3.
What are the key properties of 1,2-dimethyl-3-phenyl-1H-indene?
1,2-dimethyl-3-phenyl-1H-indene has a molecular weight of 220.32 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-phenyl-1H-indene is sourced from PubChem (CID 12633404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).