3-methylbenzo[g][1]benzofuran-2-carboxylic acid

C14H10O3 — CID 2402161

IUPAC3-methylbenzo[g][1]benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H10O3/c1-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12(8)14(15)16/h2-7H,1H3,(H,15,16)
InChIKeySEJNPUWLTFUDAI-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.59
Rot. Bonds1

About 3-methylbenzo[g][1]benzofuran-2-carboxylic acid

3-methylbenzo[g][1]benzofuran-2-carboxylic acid (PubChem CID 2402161) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-methylbenzo[g][1]benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-methylbenzo[g][1]benzofuran-2-carboxylic acid
PubChem CID2402161
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name3-methylbenzo[g][1]benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H10O3/c1-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12(8)14(15)16/h2-7H,1H3,(H,15,16)
InChIKeySEJNPUWLTFUDAI-UHFFFAOYSA-N
XLogP3.59
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylbenzo[g][1]benzofuran-2-carboxylic acid?
The IUPAC name of 3-methylbenzo[g][1]benzofuran-2-carboxylic acid (CID 2402161) is 3-methylbenzo[g][1]benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-methylbenzo[g][1]benzofuran-2-carboxylic acid?
The canonical SMILES for 3-methylbenzo[g][1]benzofuran-2-carboxylic acid is Cc1c(C(=O)O)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methylbenzo[g][1]benzofuran-2-carboxylic acid?
The InChIKey is SEJNPUWLTFUDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12(8)14(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 3-methylbenzo[g][1]benzofuran-2-carboxylic acid?
3-methylbenzo[g][1]benzofuran-2-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbenzo[g][1]benzofuran-2-carboxylic acid is sourced from PubChem (CID 2402161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).