ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid

C22H24O5 — CID 142253801

IUPACethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid
SMILESCC.CC(C)(Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C20H18O5.C2H6/c1-20(2,19(23)24)11-16-17(14-5-3-4-6-15(14)25-16)18(22)12-7-9-13(21)10-8-12;1-2/h3-10,21H,11H2,1-2H3,(H,23,24);1-2H3
InChIKeyOVFNQJOAXGPHPM-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.05
Rot. Bonds5

About ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid

ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid (PubChem CID 142253801) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Nameethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid
PubChem CID142253801
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Nameethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid
SMILESCC.CC(C)(Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C20H18O5.C2H6/c1-20(2,19(23)24)11-16-17(14-5-3-4-6-15(14)25-16)18(22)12-7-9-13(21)10-8-12;1-2/h3-10,21H,11H2,1-2H3,(H,23,24);1-2H3
InChIKeyOVFNQJOAXGPHPM-UHFFFAOYSA-N
XLogP5.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic 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

(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone
CID 139050398
[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone
CID 21435284
[2-(3-bromopropyl)-1-benzofuran-3-yl]-phenylmethanone
CID 11645865
2,2-dimethyl-3-(2-methyl-1-benzofuran-3-yl)propanoic acid
CID 116987382
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
[2-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]-phenylmethanone
CID 139050102
(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 63498188
4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 19884804
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone;molecular hydrogen
CID 158208246
(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone
CID 137124147
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid (CID 142253801) is ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid is CC.CC(C)(Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid?
The InChIKey is OVFNQJOAXGPHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5.C2H6/c1-20(2,19(23)24)11-16-17(14-5-3-4-6-15(14)25-16)18(22)12-7-9-13(21)10-8-12;1-2/h3-10,21H,11H2,1-2H3,(H,23,24);1-2H3.
What are the key properties of ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid?
ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid has a molecular weight of 368.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 142253801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).