2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid

C11H14O4 — CID 83909523

IUPAC2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid
SMILESCCc1cc2c(o1)CCCC2(O)C(=O)O
InChIInChI=1S/C11H14O4/c1-2-7-6-8-9(15-7)4-3-5-11(8,14)10(12)13/h6,14H,2-5H2,1H3,(H,12,13)
InChIKeyRKPRZNIREVRVAY-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.45
Rot. Bonds2

About 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid

2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid (PubChem CID 83909523) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid
PubChem CID83909523
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid
SMILESCCc1cc2c(o1)CCCC2(O)C(=O)O
InChIInChI=1S/C11H14O4/c1-2-7-6-8-9(15-7)4-3-5-11(8,14)10(12)13/h6,14H,2-5H2,1H3,(H,12,13)
InChIKeyRKPRZNIREVRVAY-UHFFFAOYSA-N
XLogP1.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid?
The IUPAC name of 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid (CID 83909523) is 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid?
The canonical SMILES for 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid is CCc1cc2c(o1)CCCC2(O)C(=O)O.
What is the InChIKey of 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid?
The InChIKey is RKPRZNIREVRVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-7-6-8-9(15-7)4-3-5-11(8,14)10(12)13/h6,14H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid?
2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 83909523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).