5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole

C15H19NO2 — CID 71390259

IUPAC5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1cc(OC)c2c3c([nH]c2c1)CCC(C)C3
InChIInChI=1S/C15H19NO2/c1-9-4-5-12-11(6-9)15-13(16-12)7-10(17-2)8-14(15)18-3/h7-9,16H,4-6H2,1-3H3
InChIKeyFOLMEVKPOQYNHL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.31
Rot. Bonds2

About 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole

5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 71390259) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID71390259
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1cc(OC)c2c3c([nH]c2c1)CCC(C)C3
InChIInChI=1S/C15H19NO2/c1-9-4-5-12-11(6-9)15-13(16-12)7-10(17-2)8-14(15)18-3/h7-9,16H,4-6H2,1-3H3
InChIKeyFOLMEVKPOQYNHL-UHFFFAOYSA-N
XLogP3.31
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole (CID 71390259) is 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole is COc1cc(OC)c2c3c([nH]c2c1)CCC(C)C3.
What is the InChIKey of 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is FOLMEVKPOQYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9-4-5-12-11(6-9)15-13(16-12)7-10(17-2)8-14(15)18-3/h7-9,16H,4-6H2,1-3H3.
What are the key properties of 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole?
5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 245.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 71390259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).