3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid

C19H15NO5 — CID 13220391

IUPAC3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
SMILESCOc1ccc2c(c1)c1oc(C(=O)O)c(OC)c1n2-c1ccccc1
InChIInChI=1S/C19H15NO5/c1-23-12-8-9-14-13(10-12)16-15(17(24-2)18(25-16)19(21)22)20(14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,21,22)
InChIKeyLTNCFABAGCHHCV-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.09
Rot. Bonds4

About 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid

3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid (PubChem CID 13220391) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
PubChem CID13220391
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
SMILESCOc1ccc2c(c1)c1oc(C(=O)O)c(OC)c1n2-c1ccccc1
InChIInChI=1S/C19H15NO5/c1-23-12-8-9-14-13(10-12)16-15(17(24-2)18(25-16)19(21)22)20(14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,21,22)
InChIKeyLTNCFABAGCHHCV-UHFFFAOYSA-N
XLogP4.09
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid 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 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid (CID 13220391) is 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid is COc1ccc2c(c1)c1oc(C(=O)O)c(OC)c1n2-c1ccccc1.
What is the InChIKey of 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The InChIKey is LTNCFABAGCHHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-23-12-8-9-14-13(10-12)16-15(17(24-2)18(25-16)19(21)22)20(14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,21,22).
What are the key properties of 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid has a molecular weight of 337.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 13220391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).