3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid

C13H12O4 — CID 163510988

IUPAC3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid
SMILESO=C(O)CCc1coc2ccc3c(c12)CCO3
InChIInChI=1S/C13H12O4/c14-12(15)4-1-8-7-17-11-3-2-10-9(13(8)11)5-6-16-10/h2-3,7H,1,4-6H2,(H,14,15)
InChIKeyDCQVXZROWNCCRG-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.38
Rot. Bonds3

About 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid

3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid (PubChem CID 163510988) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid
PubChem CID163510988
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid
SMILESO=C(O)CCc1coc2ccc3c(c12)CCO3
InChIInChI=1S/C13H12O4/c14-12(15)4-1-8-7-17-11-3-2-10-9(13(8)11)5-6-16-10/h2-3,7H,1,4-6H2,(H,14,15)
InChIKeyDCQVXZROWNCCRG-UHFFFAOYSA-N
XLogP2.38
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
CID 117299962
1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea
CID 18782996
2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919
3-(3-methyl-1-benzofuran-4-yl)propanoic acid
CID 82396704
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 84699356
3-(6-methyl-4-oxochromen-3-yl)propanoic acid
CID 16643139
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 84700626
3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 28806185
3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
CID 117484741
3-[4-(2,3-dihydro-1-benzofuran-4-ylsulfamoyl)phenyl]propanoic acid
CID 166222433
2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid
CID 172805851

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid?
The IUPAC name of 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid (CID 163510988) is 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid.
What is the SMILES notation for 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid?
The canonical SMILES for 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid is O=C(O)CCc1coc2ccc3c(c12)CCO3.
What is the InChIKey of 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid?
The InChIKey is DCQVXZROWNCCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-12(15)4-1-8-7-17-11-3-2-10-9(13(8)11)5-6-16-10/h2-3,7H,1,4-6H2,(H,14,15).
What are the key properties of 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid?
3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid has a molecular weight of 232.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid is sourced from PubChem (CID 163510988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).