ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate

C10H8F3IO3 — CID 11068370

IUPACethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate
SMILESCCOC(=O)c1cc(I)c(O)cc1C(F)(F)F
InChIInChI=1S/C10H8F3IO3/c1-2-17-9(16)5-3-7(14)8(15)4-6(5)10(11,12)13/h3-4,15H,2H2,1H3
InChIKeyGQKPMLDMGAVBHM-UHFFFAOYSA-N
MW360.07 g/mol
LogP3.19
Rot. Bonds2

About ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate

ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate (PubChem CID 11068370) has the molecular formula C10H8F3IO3 and a molecular weight of 360.07 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate
PubChem CID11068370
Molecular FormulaC10H8F3IO3
Molecular Weight360.07 g/mol
Exact Mass359.95
IUPAC Nameethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate
SMILESCCOC(=O)c1cc(I)c(O)cc1C(F)(F)F
InChIInChI=1S/C10H8F3IO3/c1-2-17-9(16)5-3-7(14)8(15)4-6(5)10(11,12)13/h3-4,15H,2H2,1H3
InChIKeyGQKPMLDMGAVBHM-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.07
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate 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-iodo-2-(trifluoromethyl)benzoate
CID 129319225
ethyl 5-formyl-2,4-bis(trifluoromethyl)benzoate
CID 134638706
ethyl 4-(4-iodophenyl)sulfanyl-2-(trifluoromethyl)benzoate
CID 91878079
ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate
CID 166521299
ethyl 6-amino-5-iodo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 118275238
methyl 5-iodo-4-methyl-2-(trifluoromethyl)benzoate
CID 142587775
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
CID 53404700
ethyl 2-hydroxy-4-iodo-5-methylbenzoate
CID 166715745
ethyl 4-iodo-2,3-bis(trifluoromethyl)benzoate
CID 134638565
ethyl 2-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-3-carboxylate
CID 133100322
ethyl 4-cyano-5-methoxy-2-(trifluoromethyl)benzoate
CID 134640970
ethyl 5-(chloromethyl)-4-cyano-2-(trifluoromethyl)benzoate
CID 134651357

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate?
The IUPAC name of ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate (CID 11068370) is ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate.
What is the SMILES notation for ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate?
The canonical SMILES for ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate is CCOC(=O)c1cc(I)c(O)cc1C(F)(F)F.
What is the InChIKey of ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate?
The InChIKey is GQKPMLDMGAVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3IO3/c1-2-17-9(16)5-3-7(14)8(15)4-6(5)10(11,12)13/h3-4,15H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate?
ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate has a molecular weight of 360.07 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate is sourced from PubChem (CID 11068370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).