4,7-dimethyl-1-phenyl-1H-indene

C17H16 — CID 86724422

IUPAC4,7-dimethyl-1-phenyl-1H-indene
SMILESCc1ccc(C)c2c1C=CC2c1ccccc1
InChIInChI=1S/C17H16/c1-12-8-9-13(2)17-15(12)10-11-16(17)14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKeyYTTNZIRXWJWSRO-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.46
Rot. Bonds1

About 4,7-dimethyl-1-phenyl-1H-indene

4,7-dimethyl-1-phenyl-1H-indene (PubChem CID 86724422) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4,7-dimethyl-1-phenyl-1H-indene.

Molecular Properties

Compound Name4,7-dimethyl-1-phenyl-1H-indene
PubChem CID86724422
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name4,7-dimethyl-1-phenyl-1H-indene
SMILESCc1ccc(C)c2c1C=CC2c1ccccc1
InChIInChI=1S/C17H16/c1-12-8-9-13(2)17-15(12)10-11-16(17)14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKeyYTTNZIRXWJWSRO-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1-phenyl-1H-indene?
The IUPAC name of 4,7-dimethyl-1-phenyl-1H-indene (CID 86724422) is 4,7-dimethyl-1-phenyl-1H-indene.
What is the SMILES notation for 4,7-dimethyl-1-phenyl-1H-indene?
The canonical SMILES for 4,7-dimethyl-1-phenyl-1H-indene is Cc1ccc(C)c2c1C=CC2c1ccccc1.
What is the InChIKey of 4,7-dimethyl-1-phenyl-1H-indene?
The InChIKey is YTTNZIRXWJWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-8-9-13(2)17-15(12)10-11-16(17)14-6-4-3-5-7-14/h3-11,16H,1-2H3.
What are the key properties of 4,7-dimethyl-1-phenyl-1H-indene?
4,7-dimethyl-1-phenyl-1H-indene has a molecular weight of 220.31 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-phenyl-1H-indene is sourced from PubChem (CID 86724422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).