2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid

C13H12O3 — CID 2394017

IUPAC2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid
SMILESO=C(O)Cc1coc2cc3c(cc12)CCC3
InChIInChI=1S/C13H12O3/c14-13(15)6-10-7-16-12-5-9-3-1-2-8(9)4-11(10)12/h4-5,7H,1-3,6H2,(H,14,15)
InChIKeyFFQRKQKXMFFTME-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.55
Rot. Bonds2

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid (PubChem CID 2394017) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid
PubChem CID2394017
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid
SMILESO=C(O)Cc1coc2cc3c(cc12)CCC3
InChIInChI=1S/C13H12O3/c14-13(15)6-10-7-16-12-5-9-3-1-2-8(9)4-11(10)12/h4-5,7H,1-3,6H2,(H,14,15)
InChIKeyFFQRKQKXMFFTME-UHFFFAOYSA-N
XLogP2.55
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid (CID 2394017) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid is O=C(O)Cc1coc2cc3c(cc12)CCC3.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid?
The InChIKey is FFQRKQKXMFFTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-13(15)6-10-7-16-12-5-9-3-1-2-8(9)4-11(10)12/h4-5,7H,1-3,6H2,(H,14,15).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid?
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid is sourced from PubChem (CID 2394017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).