methyl 4-(2-hydroxy-3-iodophenyl)butanoate

C11H13IO3 — CID 155290713

IUPACmethyl 4-(2-hydroxy-3-iodophenyl)butanoate
SMILESCOC(=O)CCCc1cccc(I)c1O
InChIInChI=1S/C11H13IO3/c1-15-10(13)7-3-5-8-4-2-6-9(12)11(8)14/h2,4,6,14H,3,5,7H2,1H3
InChIKeyGUFLMHURRQDFMM-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.49
Rot. Bonds4

About methyl 4-(2-hydroxy-3-iodophenyl)butanoate

methyl 4-(2-hydroxy-3-iodophenyl)butanoate (PubChem CID 155290713) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is methyl 4-(2-hydroxy-3-iodophenyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxy-3-iodophenyl)butanoate
PubChem CID155290713
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Namemethyl 4-(2-hydroxy-3-iodophenyl)butanoate
SMILESCOC(=O)CCCc1cccc(I)c1O
InChIInChI=1S/C11H13IO3/c1-15-10(13)7-3-5-8-4-2-6-9(12)11(8)14/h2,4,6,14H,3,5,7H2,1H3
InChIKeyGUFLMHURRQDFMM-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(3-bromo-2-hydroxyphenyl)propanoate
CID 150268670
methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007
methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate
CID 595445
methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634568
cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate
CID 144555066
methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate
CID 166126095
2-bromo-1-iodo-3-(trifluoromethyl)benzene;methyl 3-[2-bromo-3-(trifluoromethyl)phenyl]propanoate
CID 157436730

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxy-3-iodophenyl)butanoate?
The IUPAC name of methyl 4-(2-hydroxy-3-iodophenyl)butanoate (CID 155290713) is methyl 4-(2-hydroxy-3-iodophenyl)butanoate.
What is the SMILES notation for methyl 4-(2-hydroxy-3-iodophenyl)butanoate?
The canonical SMILES for methyl 4-(2-hydroxy-3-iodophenyl)butanoate is COC(=O)CCCc1cccc(I)c1O.
What is the InChIKey of methyl 4-(2-hydroxy-3-iodophenyl)butanoate?
The InChIKey is GUFLMHURRQDFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c1-15-10(13)7-3-5-8-4-2-6-9(12)11(8)14/h2,4,6,14H,3,5,7H2,1H3.
What are the key properties of methyl 4-(2-hydroxy-3-iodophenyl)butanoate?
methyl 4-(2-hydroxy-3-iodophenyl)butanoate has a molecular weight of 320.13 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxy-3-iodophenyl)butanoate is sourced from PubChem (CID 155290713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).