4,7-dimethyl-1H-indene

C22H24 — CID 157466302

IUPAC4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=CC2.Cc1ccc(C)c2c1C=CC2
InChIInChI=1S/2C11H12/c2*1-8-6-7-9(2)11-5-3-4-10(8)11/h2*3-4,6-7H,5H2,1-2H3
InChIKeyBUNFNEGEXQSYDB-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.75
Rot. Bonds

About 4,7-dimethyl-1H-indene

4,7-dimethyl-1H-indene (PubChem CID 157466302) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4,7-dimethyl-1H-indene.

Molecular Properties

Compound Name4,7-dimethyl-1H-indene
PubChem CID157466302
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=CC2.Cc1ccc(C)c2c1C=CC2
InChIInChI=1S/2C11H12/c2*1-8-6-7-9(2)11-5-3-4-10(8)11/h2*3-4,6-7H,5H2,1-2H3
InChIKeyBUNFNEGEXQSYDB-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1H-indene?
The IUPAC name of 4,7-dimethyl-1H-indene (CID 157466302) is 4,7-dimethyl-1H-indene.
What is the SMILES notation for 4,7-dimethyl-1H-indene?
The canonical SMILES for 4,7-dimethyl-1H-indene is Cc1ccc(C)c2c1C=CC2.Cc1ccc(C)c2c1C=CC2.
What is the InChIKey of 4,7-dimethyl-1H-indene?
The InChIKey is BUNFNEGEXQSYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12/c2*1-8-6-7-9(2)11-5-3-4-10(8)11/h2*3-4,6-7H,5H2,1-2H3.
What are the key properties of 4,7-dimethyl-1H-indene?
4,7-dimethyl-1H-indene has a molecular weight of 288.43 g/mol, XLogP of 5.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1H-indene is sourced from PubChem (CID 157466302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).