ethyl 2-hydroxy-4-iodo-5-methylbenzoate

C10H11IO3 — CID 166715745

IUPACethyl 2-hydroxy-4-iodo-5-methylbenzoate
SMILESCCOC(=O)c1cc(C)c(I)cc1O
InChIInChI=1S/C10H11IO3/c1-3-14-10(13)7-4-6(2)8(11)5-9(7)12/h4-5,12H,3H2,1-2H3
InChIKeyURMYWKSEXFJHKW-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.48
Rot. Bonds2

About ethyl 2-hydroxy-4-iodo-5-methylbenzoate

ethyl 2-hydroxy-4-iodo-5-methylbenzoate (PubChem CID 166715745) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-iodo-5-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-iodo-5-methylbenzoate
PubChem CID166715745
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Nameethyl 2-hydroxy-4-iodo-5-methylbenzoate
SMILESCCOC(=O)c1cc(C)c(I)cc1O
InChIInChI=1S/C10H11IO3/c1-3-14-10(13)7-4-6(2)8(11)5-9(7)12/h4-5,12H,3H2,1-2H3
InChIKeyURMYWKSEXFJHKW-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-hydroxy-4-iodo-5-methylbenzoate 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 4,5-difluoro-2-hydroxybenzoate
CID 18452909
ethyl 4-ethylperoxycarbonyl-2,5-dihydroxybenzoate
CID 21031386
ethyl 5-hydroxy-2-iodobenzoate
CID 3629154
ethyl 5-cyano-3-hydroxy-2-iodobenzoate
CID 131475255
ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate
CID 11068370
ethyl 5-ethoxy-4-iodo-2-methylbenzoate
CID 162352683
ethyl 5-bromo-4-chloro-2-hydroxybenzoate
CID 19701624
diethyl 4-amino-5-hydroxybenzene-1,2-dicarboxylate
CID 19800643
ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-iodo-5-methylbenzoate?
The IUPAC name of ethyl 2-hydroxy-4-iodo-5-methylbenzoate (CID 166715745) is ethyl 2-hydroxy-4-iodo-5-methylbenzoate.
What is the SMILES notation for ethyl 2-hydroxy-4-iodo-5-methylbenzoate?
The canonical SMILES for ethyl 2-hydroxy-4-iodo-5-methylbenzoate is CCOC(=O)c1cc(C)c(I)cc1O.
What is the InChIKey of ethyl 2-hydroxy-4-iodo-5-methylbenzoate?
The InChIKey is URMYWKSEXFJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-3-14-10(13)7-4-6(2)8(11)5-9(7)12/h4-5,12H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-4-iodo-5-methylbenzoate?
ethyl 2-hydroxy-4-iodo-5-methylbenzoate has a molecular weight of 306.10 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-iodo-5-methylbenzoate is sourced from PubChem (CID 166715745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).