8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole

C20H21NO3 — CID 86242003

IUPAC8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
SMILESCOc1cc(OC)c2[nH]c3c4c(c(C)cc3c2c1)OC(C)(C)C=C4
InChIInChI=1S/C20H21NO3/c1-11-8-14-15-9-12(22-4)10-16(23-5)18(15)21-17(14)13-6-7-20(2,3)24-19(11)13/h6-10,21H,1-5H3
InChIKeyAPZRRMFSHXMDTQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.83
Rot. Bonds2

About 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole

8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole (PubChem CID 86242003) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
PubChem CID86242003
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
SMILESCOc1cc(OC)c2[nH]c3c4c(c(C)cc3c2c1)OC(C)(C)C=C4
InChIInChI=1S/C20H21NO3/c1-11-8-14-15-9-12(22-4)10-16(23-5)18(15)21-17(14)13-6-7-20(2,3)24-19(11)13/h6-10,21H,1-5H3
InChIKeyAPZRRMFSHXMDTQ-UHFFFAOYSA-N
XLogP4.83
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole?
The IUPAC name of 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole (CID 86242003) is 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole.
What is the SMILES notation for 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole?
The canonical SMILES for 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole is COc1cc(OC)c2[nH]c3c4c(c(C)cc3c2c1)OC(C)(C)C=C4.
What is the InChIKey of 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole?
The InChIKey is APZRRMFSHXMDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-11-8-14-15-9-12(22-4)10-16(23-5)18(15)21-17(14)13-6-7-20(2,3)24-19(11)13/h6-10,21H,1-5H3.
What are the key properties of 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole?
8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole has a molecular weight of 323.39 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole is sourced from PubChem (CID 86242003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).