2,3-dimethyl-6-phenyl-1H-indene

C17H16 — CID 173147949

IUPAC2,3-dimethyl-6-phenyl-1H-indene
SMILESCC1=C(C)c2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C17H16/c1-12-10-16-11-15(8-9-17(16)13(12)2)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
InChIKeyBFNOJCQPGSOFBI-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.70
Rot. Bonds1

About 2,3-dimethyl-6-phenyl-1H-indene

2,3-dimethyl-6-phenyl-1H-indene (PubChem CID 173147949) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,3-dimethyl-6-phenyl-1H-indene.

Molecular Properties

Compound Name2,3-dimethyl-6-phenyl-1H-indene
PubChem CID173147949
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name2,3-dimethyl-6-phenyl-1H-indene
SMILESCC1=C(C)c2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C17H16/c1-12-10-16-11-15(8-9-17(16)13(12)2)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
InChIKeyBFNOJCQPGSOFBI-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-phenyl-1H-indene?
The IUPAC name of 2,3-dimethyl-6-phenyl-1H-indene (CID 173147949) is 2,3-dimethyl-6-phenyl-1H-indene.
What is the SMILES notation for 2,3-dimethyl-6-phenyl-1H-indene?
The canonical SMILES for 2,3-dimethyl-6-phenyl-1H-indene is CC1=C(C)c2ccc(-c3ccccc3)cc2C1.
What is the InChIKey of 2,3-dimethyl-6-phenyl-1H-indene?
The InChIKey is BFNOJCQPGSOFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-10-16-11-15(8-9-17(16)13(12)2)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-phenyl-1H-indene?
2,3-dimethyl-6-phenyl-1H-indene has a molecular weight of 220.31 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-phenyl-1H-indene is sourced from PubChem (CID 173147949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).