6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole

C17H17NO5 — CID 171715070

IUPAC6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole
SMILESCOc1ccc2c([nH]c3c(OC)cc4c(c32)OCCO4)c1OC
InChIInChI=1S/C17H17NO5/c1-19-10-5-4-9-13-15(18-14(9)17(10)21-3)11(20-2)8-12-16(13)23-7-6-22-12/h4-5,8,18H,6-7H2,1-3H3
InChIKeyHBCBCKKEWBVYKC-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.12
Rot. Bonds3

About 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole

6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole (PubChem CID 171715070) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole.

Molecular Properties

Compound Name6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole
PubChem CID171715070
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole
SMILESCOc1ccc2c([nH]c3c(OC)cc4c(c32)OCCO4)c1OC
InChIInChI=1S/C17H17NO5/c1-19-10-5-4-9-13-15(18-14(9)17(10)21-3)11(20-2)8-12-16(13)23-7-6-22-12/h4-5,8,18H,6-7H2,1-3H3
InChIKeyHBCBCKKEWBVYKC-UHFFFAOYSA-N
XLogP3.12
TPSA61.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole?
The IUPAC name of 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole (CID 171715070) is 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole.
What is the SMILES notation for 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole?
The canonical SMILES for 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole is COc1ccc2c([nH]c3c(OC)cc4c(c32)OCCO4)c1OC.
What is the InChIKey of 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole?
The InChIKey is HBCBCKKEWBVYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-19-10-5-4-9-13-15(18-14(9)17(10)21-3)11(20-2)8-12-16(13)23-7-6-22-12/h4-5,8,18H,6-7H2,1-3H3.
What are the key properties of 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole?
6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole has a molecular weight of 315.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole is sourced from PubChem (CID 171715070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).