3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid

C11H10O4 — CID 141399368

IUPAC3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1cccc2ccoc12
InChIInChI=1S/C11H10O4/c12-9(11(13)14)6-8-3-1-2-7-4-5-15-10(7)8/h1-5,9,12H,6H2,(H,13,14)
InChIKeyDSDVSWOHCAWEGH-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.42
Rot. Bonds3

About 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid

3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid (PubChem CID 141399368) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid
PubChem CID141399368
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1cccc2ccoc12
InChIInChI=1S/C11H10O4/c12-9(11(13)14)6-8-3-1-2-7-4-5-15-10(7)8/h1-5,9,12H,6H2,(H,13,14)
InChIKeyDSDVSWOHCAWEGH-UHFFFAOYSA-N
XLogP1.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
3-(1-benzofuran-7-yl)propan-1-ol
CID 117277310
1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
CID 132988801
[4-(1-benzofuran-7-yl)-2-methylbutan-2-yl]carbamic acid
CID 175312979
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
2-[1-benzofuran-7-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 166268250
1-(1-benzofuran-7-ylmethylamino)-3-(3-chlorophenyl)propan-2-ol
CID 166372295
7-prop-2-enyl-1-benzofuran
CID 130133071
2-(1-benzofuran-7-yl)ethanesulfonyl chloride
CID 84704690
7-butyl-1-benzofuran
CID 68789907
3-(1-benzofuran-7-ylmethylamino)-1-methylcyclobutane-1-carboxylic acid
CID 167769667
3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid
CID 139243427

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid (CID 141399368) is 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid is O=C(O)C(O)Cc1cccc2ccoc12.
What is the InChIKey of 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid?
The InChIKey is DSDVSWOHCAWEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-9(11(13)14)6-8-3-1-2-7-4-5-15-10(7)8/h1-5,9,12H,6H2,(H,13,14).
What are the key properties of 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid?
3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 141399368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).