6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole

C21H19NO2 — CID 135011580

IUPAC6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole
SMILESCOc1ccc2[nH]c3c(OCc4ccccc4)cc(C)cc3c2c1
InChIInChI=1S/C21H19NO2/c1-14-10-18-17-12-16(23-2)8-9-19(17)22-21(18)20(11-14)24-13-15-6-4-3-5-7-15/h3-12,22H,13H2,1-2H3
InChIKeyPXORADOGODTYGC-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.22
Rot. Bonds4

About 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole

6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole (PubChem CID 135011580) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole.

Molecular Properties

Compound Name6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole
PubChem CID135011580
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole
SMILESCOc1ccc2[nH]c3c(OCc4ccccc4)cc(C)cc3c2c1
InChIInChI=1S/C21H19NO2/c1-14-10-18-17-12-16(23-2)8-9-19(17)22-21(18)20(11-14)24-13-15-6-4-3-5-7-15/h3-12,22H,13H2,1-2H3
InChIKeyPXORADOGODTYGC-UHFFFAOYSA-N
XLogP5.22
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole?
The IUPAC name of 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole (CID 135011580) is 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole.
What is the SMILES notation for 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole?
The canonical SMILES for 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole is COc1ccc2[nH]c3c(OCc4ccccc4)cc(C)cc3c2c1.
What is the InChIKey of 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole?
The InChIKey is PXORADOGODTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-10-18-17-12-16(23-2)8-9-19(17)22-21(18)20(11-14)24-13-15-6-4-3-5-7-15/h3-12,22H,13H2,1-2H3.
What are the key properties of 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole?
6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole has a molecular weight of 317.39 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1-phenylmethoxy-9H-carbazole is sourced from PubChem (CID 135011580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).