6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one

C19H15NO3 — CID 53358542

IUPAC6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one
SMILESCOc1ccc2c(c1)c1cc(-c3ccccc3)oc(=O)c1n2C
InChIInChI=1S/C19H15NO3/c1-20-16-9-8-13(22-2)10-14(16)15-11-17(23-19(21)18(15)20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyYEJHRDKHKUGXEP-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.96
Rot. Bonds2

About 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one

6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one (PubChem CID 53358542) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one.

Molecular Properties

Compound Name6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one
PubChem CID53358542
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one
SMILESCOc1ccc2c(c1)c1cc(-c3ccccc3)oc(=O)c1n2C
InChIInChI=1S/C19H15NO3/c1-20-16-9-8-13(22-2)10-14(16)15-11-17(23-19(21)18(15)20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyYEJHRDKHKUGXEP-UHFFFAOYSA-N
XLogP3.96
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one?
The IUPAC name of 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one (CID 53358542) is 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one.
What is the SMILES notation for 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one?
The canonical SMILES for 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one is COc1ccc2c(c1)c1cc(-c3ccccc3)oc(=O)c1n2C.
What is the InChIKey of 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one?
The InChIKey is YEJHRDKHKUGXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-20-16-9-8-13(22-2)10-14(16)15-11-17(23-19(21)18(15)20)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one?
6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one has a molecular weight of 305.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-methyl-3-phenylpyrano[3,4-b]indol-1-one is sourced from PubChem (CID 53358542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).