4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole

C19H23NO — CID 59344226

IUPAC4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole
SMILESCOc1cccc2c1C(C)(C)N(c1ccccc1)C2(C)C
InChIInChI=1S/C19H23NO/c1-18(2)15-12-9-13-16(21-5)17(15)19(3,4)20(18)14-10-7-6-8-11-14/h6-13H,1-5H3
InChIKeyWGLZOPWENIILSS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.69
Rot. Bonds2

About 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole

4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole (PubChem CID 59344226) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole.

Molecular Properties

Compound Name4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole
PubChem CID59344226
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole
SMILESCOc1cccc2c1C(C)(C)N(c1ccccc1)C2(C)C
InChIInChI=1S/C19H23NO/c1-18(2)15-12-9-13-16(21-5)17(15)19(3,4)20(18)14-10-7-6-8-11-14/h6-13H,1-5H3
InChIKeyWGLZOPWENIILSS-UHFFFAOYSA-N
XLogP4.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole?
The IUPAC name of 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole (CID 59344226) is 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole.
What is the SMILES notation for 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole?
The canonical SMILES for 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole is COc1cccc2c1C(C)(C)N(c1ccccc1)C2(C)C.
What is the InChIKey of 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole?
The InChIKey is WGLZOPWENIILSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-18(2)15-12-9-13-16(21-5)17(15)19(3,4)20(18)14-10-7-6-8-11-14/h6-13H,1-5H3.
What are the key properties of 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole?
4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole has a molecular weight of 281.40 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,1,3,3-tetramethyl-2-phenylisoindole is sourced from PubChem (CID 59344226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).