8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one

C20H19NO2 — CID 66835268

IUPAC8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1c(c3ccccc3n1C)C2=O
InChIInChI=1S/C20H19NO2/c1-20(2)15-11-12(23-4)9-10-13(15)18(22)17-14-7-5-6-8-16(14)21(3)19(17)20/h5-11H,1-4H3
InChIKeyZYEPIOOPUKPSPS-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.06
Rot. Bonds1

About 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one

8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one (PubChem CID 66835268) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one
PubChem CID66835268
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1c(c3ccccc3n1C)C2=O
InChIInChI=1S/C20H19NO2/c1-20(2)15-11-12(23-4)9-10-13(15)18(22)17-14-7-5-6-8-16(14)21(3)19(17)20/h5-11H,1-4H3
InChIKeyZYEPIOOPUKPSPS-UHFFFAOYSA-N
XLogP4.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one?
The IUPAC name of 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one (CID 66835268) is 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one.
What is the SMILES notation for 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one?
The canonical SMILES for 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one is COc1ccc2c(c1)C(C)(C)c1c(c3ccccc3n1C)C2=O.
What is the InChIKey of 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one?
The InChIKey is ZYEPIOOPUKPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-20(2)15-11-12(23-4)9-10-13(15)18(22)17-14-7-5-6-8-16(14)21(3)19(17)20/h5-11H,1-4H3.
What are the key properties of 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one?
8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one has a molecular weight of 305.38 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one is sourced from PubChem (CID 66835268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).