ethyl 4-hydroxy-3-iodobenzoate

C9H9IO3 — CID 11220038

IUPACethyl 4-hydroxy-3-iodobenzoate
SMILESCCOC(=O)c1ccc(O)c(I)c1
InChIInChI=1S/C9H9IO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2H2,1H3
InChIKeyHOAXKZYYZXASLJ-UHFFFAOYSA-N
MW292.07 g/mol
LogP2.17
Rot. Bonds2

About ethyl 4-hydroxy-3-iodobenzoate

ethyl 4-hydroxy-3-iodobenzoate (PubChem CID 11220038) has the molecular formula C9H9IO3 and a molecular weight of 292.07 g/mol. Its IUPAC name is ethyl 4-hydroxy-3-iodobenzoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-3-iodobenzoate
PubChem CID11220038
Molecular FormulaC9H9IO3
Molecular Weight292.07 g/mol
Exact Mass291.96
IUPAC Nameethyl 4-hydroxy-3-iodobenzoate
SMILESCCOC(=O)c1ccc(O)c(I)c1
InChIInChI=1S/C9H9IO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2H2,1H3
InChIKeyHOAXKZYYZXASLJ-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 52.17
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

ethyl 4-amino-3-hydroxybenzoate
CID 12784565
ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate
CID 119089114
ethyl 3-(5-ethoxycarbonyl-2-hydroxyphenyl)sulfonyl-4-hydroxybenzoate;hydrate
CID 70358894
ethyl 3-hydrazinyl-4-iodobenzoate
CID 131192878
ethyl 3-iodo-4-isocyanatobenzoate
CID 169352327
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
4-ethoxycarbonyl-2-hydroxybenzoic acid
CID 51063880
ethyl 4-(3-hydroxy-4-iodophenyl)sulfanylbenzoate
CID 91878121
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641174
ethyl 4-hydroxy-3-(methanesulfonamido)benzoate
CID 18982707
ethyl 3,4-diethoxybenzoate
CID 586407

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-3-iodobenzoate?
The IUPAC name of ethyl 4-hydroxy-3-iodobenzoate (CID 11220038) is ethyl 4-hydroxy-3-iodobenzoate.
What is the SMILES notation for ethyl 4-hydroxy-3-iodobenzoate?
The canonical SMILES for ethyl 4-hydroxy-3-iodobenzoate is CCOC(=O)c1ccc(O)c(I)c1.
What is the InChIKey of ethyl 4-hydroxy-3-iodobenzoate?
The InChIKey is HOAXKZYYZXASLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-3-iodobenzoate?
ethyl 4-hydroxy-3-iodobenzoate has a molecular weight of 292.07 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-3-iodobenzoate is sourced from PubChem (CID 11220038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).