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

C14H10O3 — CID 1315810

IUPAC2-benzo[e][1]benzofuran-1-ylacetic acid
SMILESO=C(O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C14H10O3/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16)
InChIKeyXPQWIAKMWGZBAN-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.21
Rot. Bonds2

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

2-benzo[e][1]benzofuran-1-ylacetic acid (PubChem CID 1315810) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-ylacetic acid.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-ylacetic acid
PubChem CID1315810
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name2-benzo[e][1]benzofuran-1-ylacetic acid
SMILESO=C(O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C14H10O3/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16)
InChIKeyXPQWIAKMWGZBAN-UHFFFAOYSA-N
XLogP3.21
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-ylacetic acid?
The IUPAC name of 2-benzo[e][1]benzofuran-1-ylacetic acid (CID 1315810) is 2-benzo[e][1]benzofuran-1-ylacetic acid.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-ylacetic acid?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-ylacetic acid is O=C(O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-ylacetic acid?
The InChIKey is XPQWIAKMWGZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16).
What are the key properties of 2-benzo[e][1]benzofuran-1-ylacetic acid?
2-benzo[e][1]benzofuran-1-ylacetic acid has a molecular weight of 226.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-ylacetic acid is sourced from PubChem (CID 1315810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).