2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole

C23H23NO — CID 102587501

IUPAC2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole
SMILESCOCCc1cc(-c2ccc(C)cc2)c2c3ccccc3n(C)c2c1
InChIInChI=1S/C23H23NO/c1-16-8-10-18(11-9-16)20-14-17(12-13-25-3)15-22-23(20)19-6-4-5-7-21(19)24(22)2/h4-11,14-15H,12-13H2,1-3H3
InChIKeyVKPPNLJIMITNDQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.50
Rot. Bonds4

About 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole

2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole (PubChem CID 102587501) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole
PubChem CID102587501
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole
SMILESCOCCc1cc(-c2ccc(C)cc2)c2c3ccccc3n(C)c2c1
InChIInChI=1S/C23H23NO/c1-16-8-10-18(11-9-16)20-14-17(12-13-25-3)15-22-23(20)19-6-4-5-7-21(19)24(22)2/h4-11,14-15H,12-13H2,1-3H3
InChIKeyVKPPNLJIMITNDQ-UHFFFAOYSA-N
XLogP5.50
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole?
The IUPAC name of 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole (CID 102587501) is 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole.
What is the SMILES notation for 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole?
The canonical SMILES for 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole is COCCc1cc(-c2ccc(C)cc2)c2c3ccccc3n(C)c2c1.
What is the InChIKey of 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole?
The InChIKey is VKPPNLJIMITNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-16-8-10-18(11-9-16)20-14-17(12-13-25-3)15-22-23(20)19-6-4-5-7-21(19)24(22)2/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole?
2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole has a molecular weight of 329.44 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-methyl-4-(4-methylphenyl)carbazole is sourced from PubChem (CID 102587501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).