3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole

C17H23NO — CID 65335189

IUPAC3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C(C)(C)C)CC3
InChIInChI=1S/C17H23NO/c1-17(2,3)11-5-7-15-13(9-11)14-10-12(19-4)6-8-16(14)18-15/h6,8,10-11,18H,5,7,9H2,1-4H3
InChIKeyONKDIVDIAVHRSM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.33
Rot. Bonds1

About 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole

3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 65335189) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID65335189
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C(C)(C)C)CC3
InChIInChI=1S/C17H23NO/c1-17(2,3)11-5-7-15-13(9-11)14-10-12(19-4)6-8-16(14)18-15/h6,8,10-11,18H,5,7,9H2,1-4H3
InChIKeyONKDIVDIAVHRSM-UHFFFAOYSA-N
XLogP4.33
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 83843557
(6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 6930360
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
(2R)-9-methoxy-2,3-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168957107
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 113203936
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole (CID 65335189) is 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole is COc1ccc2[nH]c3c(c2c1)CC(C(C)(C)C)CC3.
What is the InChIKey of 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is ONKDIVDIAVHRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2,3)11-5-7-15-13(9-11)14-10-12(19-4)6-8-16(14)18-15/h6,8,10-11,18H,5,7,9H2,1-4H3.
What are the key properties of 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 257.38 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 65335189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).