4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid

C17H14O4 — CID 134588362

IUPAC4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid
SMILESCCc1c(O)ccc2oc(-c3ccccc3)c(C(=O)O)c12
InChIInChI=1S/C17H14O4/c1-2-11-12(18)8-9-13-14(11)15(17(19)20)16(21-13)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeySENFQBCIOIFYAL-UHFFFAOYSA-N
MW282.29 g/mol
LogP4.07
Rot. Bonds3

About 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid

4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid (PubChem CID 134588362) has the molecular formula C17H14O4 and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid
PubChem CID134588362
Molecular FormulaC17H14O4
Molecular Weight282.29 g/mol
Exact Mass282.09
IUPAC Name4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid
SMILESCCc1c(O)ccc2oc(-c3ccccc3)c(C(=O)O)c12
InChIInChI=1S/C17H14O4/c1-2-11-12(18)8-9-13-14(11)15(17(19)20)16(21-13)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeySENFQBCIOIFYAL-UHFFFAOYSA-N
XLogP4.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate chloride
CID 46863701
ethyl 4-chloro-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
CID 23267424
ethyl 5-hydroxy-4-[(2-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate;hydrochloride
CID 2891801
6-acetyl-3-ethyl-2-phenylchromen-4-one
CID 13308875
2,3-dihydroxybutanedioic acid;bis(ethyl 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate)
CID 44786236
2-phenyl-5-propoxy-1-benzofuran-3-carboxylic acid
CID 142773604
2-ethyl-3-phenylphenol;formaldehyde
CID 175490561
4-oxo-2-phenylchromene-3,5-dicarboxylic acid
CID 70037924
3,5-diethyl-2,6-diphenylpyran-4-one
CID 59161433
4-ethyl-2,5-dimethylfuran-3-carboxylic acid
CID 57021055
1,4-diethylnaphthalene-2,3-dicarboxylic acid
CID 19961477
(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone
CID 175684502

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid (CID 134588362) is 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid is CCc1c(O)ccc2oc(-c3ccccc3)c(C(=O)O)c12.
What is the InChIKey of 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid?
The InChIKey is SENFQBCIOIFYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-2-11-12(18)8-9-13-14(11)15(17(19)20)16(21-13)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,19,20).
What are the key properties of 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid?
4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid has a molecular weight of 282.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 134588362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).