10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid

C17H12O3 — CID 59975172

IUPAC10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid
SMILESCC1c2c(C(=O)O)cccc2-c2oc3ccccc3c21
InChIInChI=1S/C17H12O3/c1-9-14-11(6-4-7-12(14)17(18)19)16-15(9)10-5-2-3-8-13(10)20-16/h2-9H,1H3,(H,18,19)
InChIKeyIMIHUFOQVCHQMR-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.26
Rot. Bonds1

About 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid

10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid (PubChem CID 59975172) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid.

Molecular Properties

Compound Name10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid
PubChem CID59975172
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid
SMILESCC1c2c(C(=O)O)cccc2-c2oc3ccccc3c21
InChIInChI=1S/C17H12O3/c1-9-14-11(6-4-7-12(14)17(18)19)16-15(9)10-5-2-3-8-13(10)20-16/h2-9H,1H3,(H,18,19)
InChIKeyIMIHUFOQVCHQMR-UHFFFAOYSA-N
XLogP4.26
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid?
The IUPAC name of 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid (CID 59975172) is 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid.
What is the SMILES notation for 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid?
The canonical SMILES for 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid is CC1c2c(C(=O)O)cccc2-c2oc3ccccc3c21.
What is the InChIKey of 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid?
The InChIKey is IMIHUFOQVCHQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-9-14-11(6-4-7-12(14)17(18)19)16-15(9)10-5-2-3-8-13(10)20-16/h2-9H,1H3,(H,18,19).
What are the key properties of 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid?
10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid is sourced from PubChem (CID 59975172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).