benzo[e][1]benzofuran-2-carboxylic acid

C13H8O3 — CID 751538

IUPACbenzo[e][1]benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C13H8O3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H,(H,14,15)
InChIKeyQVRZMUFOHNANGY-UHFFFAOYSA-N
MW212.20 g/mol
LogP3.28
Rot. Bonds1

About benzo[e][1]benzofuran-2-carboxylic acid

benzo[e][1]benzofuran-2-carboxylic acid (PubChem CID 751538) has the molecular formula C13H8O3 and a molecular weight of 212.20 g/mol. Its IUPAC name is benzo[e][1]benzofuran-2-carboxylic acid.

Molecular Properties

Compound Namebenzo[e][1]benzofuran-2-carboxylic acid
PubChem CID751538
Molecular FormulaC13H8O3
Molecular Weight212.20 g/mol
Exact Mass212.05
IUPAC Namebenzo[e][1]benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C13H8O3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H,(H,14,15)
InChIKeyQVRZMUFOHNANGY-UHFFFAOYSA-N
XLogP3.28
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[e][1]benzofuran-2-carboxylic acid?
The IUPAC name of benzo[e][1]benzofuran-2-carboxylic acid (CID 751538) is benzo[e][1]benzofuran-2-carboxylic acid.
What is the SMILES notation for benzo[e][1]benzofuran-2-carboxylic acid?
The canonical SMILES for benzo[e][1]benzofuran-2-carboxylic acid is O=C(O)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of benzo[e][1]benzofuran-2-carboxylic acid?
The InChIKey is QVRZMUFOHNANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H,(H,14,15).
What are the key properties of benzo[e][1]benzofuran-2-carboxylic acid?
benzo[e][1]benzofuran-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1]benzofuran-2-carboxylic acid is sourced from PubChem (CID 751538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).