2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid

C11H12O4 — CID 117200227

IUPAC2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
SMILESCC(C(=O)O)C1COc2cccc(O)c21
InChIInChI=1S/C11H12O4/c1-6(11(13)14)7-5-15-9-4-2-3-8(12)10(7)9/h2-4,6-7,12H,5H2,1H3,(H,13,14)
InChIKeyVBFYILWEMMSQPY-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.59
Rot. Bonds2

About 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid

2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid (PubChem CID 117200227) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
PubChem CID117200227
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
SMILESCC(C(=O)O)C1COc2cccc(O)c21
InChIInChI=1S/C11H12O4/c1-6(11(13)14)7-5-15-9-4-2-3-8(12)10(7)9/h2-4,6-7,12H,5H2,1H3,(H,13,14)
InChIKeyVBFYILWEMMSQPY-UHFFFAOYSA-N
XLogP1.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 68668209
2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913658
2-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913657
2-[(3S)-6-[(7-bromo-2,3-dihydro-1-benzofuran-3-yl)amino]-2,3-dihydro-1-benzofuran-3-yl]propanoic acid
CID 67128913
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151605
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117200214
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151617
2-methyl-2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117199471
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The IUPAC name of 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid (CID 117200227) is 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid.
What is the SMILES notation for 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The canonical SMILES for 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid is CC(C(=O)O)C1COc2cccc(O)c21.
What is the InChIKey of 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The InChIKey is VBFYILWEMMSQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-6(11(13)14)7-5-15-9-4-2-3-8(12)10(7)9/h2-4,6-7,12H,5H2,1H3,(H,13,14).
What are the key properties of 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid is sourced from PubChem (CID 117200227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).