(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate

C10H9IO3 — CID 162497593

IUPAC(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(O)c1I
InChIInChI=1S/C10H9IO3/c1-6(2)10(13)14-8-5-3-4-7(12)9(8)11/h3-5,12H,1H2,2H3
InChIKeyIXFWXZBGBKOXPU-UHFFFAOYSA-N
MW304.08 g/mol
LogP2.48
Rot. Bonds2

About (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate

(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate (PubChem CID 162497593) has the molecular formula C10H9IO3 and a molecular weight of 304.08 g/mol. Its IUPAC name is (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
PubChem CID162497593
Molecular FormulaC10H9IO3
Molecular Weight304.08 g/mol
Exact Mass303.96
IUPAC Name(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(O)c1I
InChIInChI=1S/C10H9IO3/c1-6(2)10(13)14-8-5-3-4-7(12)9(8)11/h3-5,12H,1H2,2H3
InChIKeyIXFWXZBGBKOXPU-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 ≤ 500304.08
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)
CID 59524605
(5-hydroxynaphthalen-1-yl) 2-methylprop-2-eneperoxoate
CID 87079463
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
[2-isocyanato-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 150639806
(2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate
CID 163887964
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
[2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate
CID 134554194

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate?
The IUPAC name of (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate (CID 162497593) is (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc(O)c1I.
What is the InChIKey of (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate?
The InChIKey is IXFWXZBGBKOXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO3/c1-6(2)10(13)14-8-5-3-4-7(12)9(8)11/h3-5,12H,1H2,2H3.
What are the key properties of (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate?
(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate has a molecular weight of 304.08 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 (3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 162497593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).