3-methoxy-2-methyl-1-phenyl-9H-carbazole

C20H17NO — CID 10039698

IUPAC3-methoxy-2-methyl-1-phenyl-9H-carbazole
SMILESCOc1cc2c([nH]c3ccccc32)c(-c2ccccc2)c1C
InChIInChI=1S/C20H17NO/c1-13-18(22-2)12-16-15-10-6-7-11-17(15)21-20(16)19(13)14-8-4-3-5-9-14/h3-12,21H,1-2H3
InChIKeyWMOYBLZINTVESP-UHFFFAOYSA-N
MW287.36 g/mol
LogP5.31
Rot. Bonds2

About 3-methoxy-2-methyl-1-phenyl-9H-carbazole

3-methoxy-2-methyl-1-phenyl-9H-carbazole (PubChem CID 10039698) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1-phenyl-9H-carbazole.

Molecular Properties

Compound Name3-methoxy-2-methyl-1-phenyl-9H-carbazole
PubChem CID10039698
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name3-methoxy-2-methyl-1-phenyl-9H-carbazole
SMILESCOc1cc2c([nH]c3ccccc32)c(-c2ccccc2)c1C
InChIInChI=1S/C20H17NO/c1-13-18(22-2)12-16-15-10-6-7-11-17(15)21-20(16)19(13)14-8-4-3-5-9-14/h3-12,21H,1-2H3
InChIKeyWMOYBLZINTVESP-UHFFFAOYSA-N
XLogP5.31
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.36
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1-phenyl-9H-carbazole?
The IUPAC name of 3-methoxy-2-methyl-1-phenyl-9H-carbazole (CID 10039698) is 3-methoxy-2-methyl-1-phenyl-9H-carbazole.
What is the SMILES notation for 3-methoxy-2-methyl-1-phenyl-9H-carbazole?
The canonical SMILES for 3-methoxy-2-methyl-1-phenyl-9H-carbazole is COc1cc2c([nH]c3ccccc32)c(-c2ccccc2)c1C.
What is the InChIKey of 3-methoxy-2-methyl-1-phenyl-9H-carbazole?
The InChIKey is WMOYBLZINTVESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-13-18(22-2)12-16-15-10-6-7-11-17(15)21-20(16)19(13)14-8-4-3-5-9-14/h3-12,21H,1-2H3.
What are the key properties of 3-methoxy-2-methyl-1-phenyl-9H-carbazole?
3-methoxy-2-methyl-1-phenyl-9H-carbazole has a molecular weight of 287.36 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1-phenyl-9H-carbazole is sourced from PubChem (CID 10039698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).