2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid

C10H10O4 — CID 114743526

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc2c1OCC2
InChIInChI=1S/C10H10O4/c11-8(10(12)13)7-3-1-2-6-4-5-14-9(6)7/h1-3,8,11H,4-5H2,(H,12,13)
InChIKeyKFVAAQHNCJDKAZ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.74
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid

2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid (PubChem CID 114743526) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid
PubChem CID114743526
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc2c1OCC2
InChIInChI=1S/C10H10O4/c11-8(10(12)13)7-3-1-2-6-4-5-14-9(6)7/h1-3,8,11H,4-5H2,(H,12,13)
InChIKeyKFVAAQHNCJDKAZ-UHFFFAOYSA-N
XLogP0.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Furofenac
CID 42091
2-Methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 98308
2,3-Dihydro-1-benzofuran-7-carboxylic acid
CID 2795014
8-Hydroxy-8-(2-pentyloxy-phenyl)-octanoic acid methyl ester
CID 11508312
2,3-Dihydro-1-benzofuran-2-carboxylic acid
CID 2776555
2,3-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 4397197
2,3-Dihydro-1-benzofuran-3-carboxylic acid
CID 562423
3-Methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 9815390
3-(2,3-Dihydrobenzo(b)furan-5-yl)propanoic acid
CID 2815405
Sodium 8-hydroxy-8-(2-pentoxyphenyl)octanoate
CID 23676879
2-Hydroxy-2-(2-methoxyphenyl)acetic acid
CID 112037
2,3-Dihydro-5-benzofuranacetic acid
CID 2737455

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid (CID 114743526) is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1cccc2c1OCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid?
The InChIKey is KFVAAQHNCJDKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-8(10(12)13)7-3-1-2-6-4-5-14-9(6)7/h1-3,8,11H,4-5H2,(H,12,13).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid?
2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 114743526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).