4-(2,2-dimethylpropoxy)-9H-carbazole

C17H19NO — CID 59827319

IUPAC4-(2,2-dimethylpropoxy)-9H-carbazole
SMILESCC(C)(C)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C17H19NO/c1-17(2,3)11-19-15-10-6-9-14-16(15)12-7-4-5-8-13(12)18-14/h4-10,18H,11H2,1-3H3
InChIKeyGGMMFBRSBVYJML-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.75
Rot. Bonds2

About 4-(2,2-dimethylpropoxy)-9H-carbazole

4-(2,2-dimethylpropoxy)-9H-carbazole (PubChem CID 59827319) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-9H-carbazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-9H-carbazole
PubChem CID59827319
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name4-(2,2-dimethylpropoxy)-9H-carbazole
SMILESCC(C)(C)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C17H19NO/c1-17(2,3)11-19-15-10-6-9-14-16(15)12-7-4-5-8-13(12)18-14/h4-10,18H,11H2,1-3H3
InChIKeyGGMMFBRSBVYJML-UHFFFAOYSA-N
XLogP4.75
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-9H-carbazole?
The IUPAC name of 4-(2,2-dimethylpropoxy)-9H-carbazole (CID 59827319) is 4-(2,2-dimethylpropoxy)-9H-carbazole.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-9H-carbazole?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-9H-carbazole is CC(C)(C)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-9H-carbazole?
The InChIKey is GGMMFBRSBVYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2,3)11-19-15-10-6-9-14-16(15)12-7-4-5-8-13(12)18-14/h4-10,18H,11H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropoxy)-9H-carbazole?
4-(2,2-dimethylpropoxy)-9H-carbazole has a molecular weight of 253.35 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-9H-carbazole is sourced from PubChem (CID 59827319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).