1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene

C25H28 — CID 22465558

IUPAC1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=CC2C(C)(C)C1C=Cc2c(C)ccc(C)c21
InChIInChI=1S/C25H28/c1-15-7-9-17(3)23-19(15)11-13-21(23)25(5,6)22-14-12-20-16(2)8-10-18(4)24(20)22/h7-14,21-22H,1-6H3
InChIKeyUWCMLYUYEOPBQP-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.87
Rot. Bonds2

About 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene

1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene (PubChem CID 22465558) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene.

Molecular Properties

Compound Name1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene
PubChem CID22465558
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=CC2C(C)(C)C1C=Cc2c(C)ccc(C)c21
InChIInChI=1S/C25H28/c1-15-7-9-17(3)23-19(15)11-13-21(23)25(5,6)22-14-12-20-16(2)8-10-18(4)24(20)22/h7-14,21-22H,1-6H3
InChIKeyUWCMLYUYEOPBQP-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene?
The IUPAC name of 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene (CID 22465558) is 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene.
What is the SMILES notation for 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene?
The canonical SMILES for 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene is Cc1ccc(C)c2c1C=CC2C(C)(C)C1C=Cc2c(C)ccc(C)c21.
What is the InChIKey of 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene?
The InChIKey is UWCMLYUYEOPBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-15-7-9-17(3)23-19(15)11-13-21(23)25(5,6)22-14-12-20-16(2)8-10-18(4)24(20)22/h7-14,21-22H,1-6H3.
What are the key properties of 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene?
1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene has a molecular weight of 328.50 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,7-dimethyl-1H-inden-1-yl)propan-2-yl]-4,7-dimethyl-1H-indene is sourced from PubChem (CID 22465558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).