3,6-dimethoxy-9H-carbazole

C14H13NO2 — CID 644464

IUPAC3,6-dimethoxy-9H-carbazole
SMILESCOc1ccc2[nH]c3ccc(OC)cc3c2c1
InChIInChI=1S/C14H13NO2/c1-16-9-3-5-13-11(7-9)12-8-10(17-2)4-6-14(12)15-13/h3-8,15H,1-2H3
InChIKeyYQKMWXHJSIEAEX-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.34
Rot. Bonds2

About 3,6-dimethoxy-9H-carbazole

3,6-dimethoxy-9H-carbazole (PubChem CID 644464) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3,6-dimethoxy-9H-carbazole.

Molecular Properties

Compound Name3,6-dimethoxy-9H-carbazole
PubChem CID644464
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3,6-dimethoxy-9H-carbazole
SMILESCOc1ccc2[nH]c3ccc(OC)cc3c2c1
InChIInChI=1S/C14H13NO2/c1-16-9-3-5-13-11(7-9)12-8-10(17-2)4-6-14(12)15-13/h3-8,15H,1-2H3
InChIKeyYQKMWXHJSIEAEX-UHFFFAOYSA-N
XLogP3.34
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-9H-carbazole?
The IUPAC name of 3,6-dimethoxy-9H-carbazole (CID 644464) is 3,6-dimethoxy-9H-carbazole.
What is the SMILES notation for 3,6-dimethoxy-9H-carbazole?
The canonical SMILES for 3,6-dimethoxy-9H-carbazole is COc1ccc2[nH]c3ccc(OC)cc3c2c1.
What is the InChIKey of 3,6-dimethoxy-9H-carbazole?
The InChIKey is YQKMWXHJSIEAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-16-9-3-5-13-11(7-9)12-8-10(17-2)4-6-14(12)15-13/h3-8,15H,1-2H3.
What are the key properties of 3,6-dimethoxy-9H-carbazole?
3,6-dimethoxy-9H-carbazole has a molecular weight of 227.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-9H-carbazole is sourced from PubChem (CID 644464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).