1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole

C20H25NO — CID 143568372

IUPAC1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole
SMILESCc1ccc2c(c1)C(C)(C)N(OCc1ccccc1)C2(C)C
InChIInChI=1S/C20H25NO/c1-15-11-12-17-18(13-15)20(4,5)21(19(17,2)3)22-14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChIKeyQFQONDRMYPBNTG-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.91
Rot. Bonds3

About 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole

1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole (PubChem CID 143568372) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole.

Molecular Properties

Compound Name1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole
PubChem CID143568372
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole
SMILESCc1ccc2c(c1)C(C)(C)N(OCc1ccccc1)C2(C)C
InChIInChI=1S/C20H25NO/c1-15-11-12-17-18(13-15)20(4,5)21(19(17,2)3)22-14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChIKeyQFQONDRMYPBNTG-UHFFFAOYSA-N
XLogP4.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole?
The IUPAC name of 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole (CID 143568372) is 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole.
What is the SMILES notation for 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole?
The canonical SMILES for 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole is Cc1ccc2c(c1)C(C)(C)N(OCc1ccccc1)C2(C)C.
What is the InChIKey of 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole?
The InChIKey is QFQONDRMYPBNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-11-12-17-18(13-15)20(4,5)21(19(17,2)3)22-14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3.
What are the key properties of 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole?
1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole has a molecular weight of 295.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole is sourced from PubChem (CID 143568372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).