2,5-dimethyl-1-phenyl-1H-indene

C17H16 — CID 173186608

IUPAC2,5-dimethyl-1-phenyl-1H-indene
SMILESCC1=Cc2cc(C)ccc2C1c1ccccc1
InChIInChI=1S/C17H16/c1-12-8-9-16-15(10-12)11-13(2)17(16)14-6-4-3-5-7-14/h3-11,17H,1-2H3
InChIKeyYQWNEDRRMQDWAP-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.54
Rot. Bonds1

About 2,5-dimethyl-1-phenyl-1H-indene

2,5-dimethyl-1-phenyl-1H-indene (PubChem CID 173186608) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-1H-indene.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-1H-indene
PubChem CID173186608
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name2,5-dimethyl-1-phenyl-1H-indene
SMILESCC1=Cc2cc(C)ccc2C1c1ccccc1
InChIInChI=1S/C17H16/c1-12-8-9-16-15(10-12)11-13(2)17(16)14-6-4-3-5-7-14/h3-11,17H,1-2H3
InChIKeyYQWNEDRRMQDWAP-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-1H-indene?
The IUPAC name of 2,5-dimethyl-1-phenyl-1H-indene (CID 173186608) is 2,5-dimethyl-1-phenyl-1H-indene.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-1H-indene?
The canonical SMILES for 2,5-dimethyl-1-phenyl-1H-indene is CC1=Cc2cc(C)ccc2C1c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-1H-indene?
The InChIKey is YQWNEDRRMQDWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-8-9-16-15(10-12)11-13(2)17(16)14-6-4-3-5-7-14/h3-11,17H,1-2H3.
What are the key properties of 2,5-dimethyl-1-phenyl-1H-indene?
2,5-dimethyl-1-phenyl-1H-indene has a molecular weight of 220.31 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-1H-indene is sourced from PubChem (CID 173186608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).