methyl 4-hydroxy-3-iodo-5-methoxybenzoate

C9H9IO4 — CID 53426739

IUPACmethyl 4-hydroxy-3-iodo-5-methoxybenzoate
SMILESCOC(=O)c1cc(I)c(O)c(OC)c1
InChIInChI=1S/C9H9IO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3
InChIKeyWMPWEALBPHHIGS-UHFFFAOYSA-N
MW308.07 g/mol
LogP1.79
Rot. Bonds2

About methyl 4-hydroxy-3-iodo-5-methoxybenzoate

methyl 4-hydroxy-3-iodo-5-methoxybenzoate (PubChem CID 53426739) has the molecular formula C9H9IO4 and a molecular weight of 308.07 g/mol. Its IUPAC name is methyl 4-hydroxy-3-iodo-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-iodo-5-methoxybenzoate
PubChem CID53426739
Molecular FormulaC9H9IO4
Molecular Weight308.07 g/mol
Exact Mass307.95
IUPAC Namemethyl 4-hydroxy-3-iodo-5-methoxybenzoate
SMILESCOC(=O)c1cc(I)c(O)c(OC)c1
InChIInChI=1S/C9H9IO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3
InChIKeyWMPWEALBPHHIGS-UHFFFAOYSA-N
XLogP1.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-ethoxy-4-hydroxy-5-iodobenzoate
CID 90422929
methyl 3-formyl-4-hydroxy-5-iodobenzoate
CID 86251227
methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate
CID 117325019
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-2,2-dimethylpropanoic acid
CID 117453460
methyl 4-(3,5-diiodo-4-methoxyphenoxy)-3,5-diiodobenzoate
CID 24782985
methyl 3-[[amino-(diaminomethylideneamino)methylidene]amino]-4-hydroxy-5-methoxybenzoate
CID 168604107
methyl 3-(2,2-dicyanoethenylamino)-4-hydroxy-5-methoxybenzoate
CID 168543713
methyl 3,4,5-trihydroxy-2-methoxy-6-oxobenzo[7]annulene-8-carboxylate
CID 5306188
methyl 3-iodo-4-(2-iodo-4-methoxycarbonylphenyl)benzoate
CID 11375867
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-iodo-5-methoxybenzoate?
The IUPAC name of methyl 4-hydroxy-3-iodo-5-methoxybenzoate (CID 53426739) is methyl 4-hydroxy-3-iodo-5-methoxybenzoate.
What is the SMILES notation for methyl 4-hydroxy-3-iodo-5-methoxybenzoate?
The canonical SMILES for methyl 4-hydroxy-3-iodo-5-methoxybenzoate is COC(=O)c1cc(I)c(O)c(OC)c1.
What is the InChIKey of methyl 4-hydroxy-3-iodo-5-methoxybenzoate?
The InChIKey is WMPWEALBPHHIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3.
What are the key properties of methyl 4-hydroxy-3-iodo-5-methoxybenzoate?
methyl 4-hydroxy-3-iodo-5-methoxybenzoate has a molecular weight of 308.07 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-iodo-5-methoxybenzoate is sourced from PubChem (CID 53426739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).