3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one

C10H7F3O4 — CID 3657804

IUPAC3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one
SMILESCOc1ccc2c(c1)C(O)(C(F)(F)F)C(=O)O2
InChIInChI=1S/C10H7F3O4/c1-16-5-2-3-7-6(4-5)9(15,8(14)17-7)10(11,12)13/h2-4,15H,1H3
InChIKeySARSNDWXBYQAOO-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.36
Rot. Bonds1

About 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one

3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one (PubChem CID 3657804) has the molecular formula C10H7F3O4 and a molecular weight of 248.16 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one
PubChem CID3657804
Molecular FormulaC10H7F3O4
Molecular Weight248.16 g/mol
Exact Mass248.03
IUPAC Name3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one
SMILESCOc1ccc2c(c1)C(O)(C(F)(F)F)C(=O)O2
InChIInChI=1S/C10H7F3O4/c1-16-5-2-3-7-6(4-5)9(15,8(14)17-7)10(11,12)13/h2-4,15H,1H3
InChIKeySARSNDWXBYQAOO-UHFFFAOYSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one 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

5-Hydroxybenzofuran-2-one
CID 75898
(S)-2-Ethyl-5-{3-[4-(2,2,2-trifluoro-ethoxy)-phenoxy]-propoxy}-2,3-dihydro-benzofuran-2-carboxylic acid
CID 11339649
2(3H)-Benzofuranone, 5-methoxy-
CID 10103474
3-hydroxy-5-methyl-3-(trifluoromethyl)-1-benzofuran-2(3H)-one
CID 2801695
7-Hexadecyl-3,5-dihydroxy-4-methyl-3-phenyl-6-propyl-3H-benzofuran-2-one
CID 3018926
4-Geranyl-5-hydroxy-2(3h)-benzofuranone
CID 5324641
2-(2,5-Dimethoxyphenyl)-2-hydroxyacetic acid
CID 12216540
Methyl 5-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 11206347
5-Methoxy-2,3-dihydrobenzofuran-2-carboxylic acid
CID 22628334
2-(2,5-Dimethoxyphenyl)-2,2-difluoroacetic acid
CID 62802317
methyl (2S,4aS,9S,9aS)-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,9-dihydroxy-4a-methyl-2-propan-2-yl-2,9a-dihydro-1H-xanthene-9-carboxylate
CID 168269804
3H-Benzofuran-2-one, 3,7-dihydroxy-3-trifluoromethyl-
CID 3393410

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one?
The IUPAC name of 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one (CID 3657804) is 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one.
What is the SMILES notation for 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one?
The canonical SMILES for 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one is COc1ccc2c(c1)C(O)(C(F)(F)F)C(=O)O2.
What is the InChIKey of 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one?
The InChIKey is SARSNDWXBYQAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O4/c1-16-5-2-3-7-6(4-5)9(15,8(14)17-7)10(11,12)13/h2-4,15H,1H3.
What are the key properties of 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one?
3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one has a molecular weight of 248.16 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-3-(trifluoromethyl)-1-benzofuran-2-one is sourced from PubChem (CID 3657804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).