(2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate

C11H11IO5 — CID 163887964

IUPAC(2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(OC)c(O)c(I)c1O
InChIInChI=1S/C11H11IO5/c1-5(2)11(15)17-7-4-6(16-3)9(13)8(12)10(7)14/h4,13-14H,1H2,2-3H3
InChIKeySOVNLGXEMPMTRI-UHFFFAOYSA-N
MW350.11 g/mol
LogP2.19
Rot. Bonds3

About (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate

(2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate (PubChem CID 163887964) has the molecular formula C11H11IO5 and a molecular weight of 350.11 g/mol. Its IUPAC name is (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate
PubChem CID163887964
Molecular FormulaC11H11IO5
Molecular Weight350.11 g/mol
Exact Mass349.97
IUPAC Name(2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(OC)c(O)c(I)c1O
InChIInChI=1S/C11H11IO5/c1-5(2)11(15)17-7-4-6(16-3)9(13)8(12)10(7)14/h4,13-14H,1H2,2-3H3
InChIKeySOVNLGXEMPMTRI-UHFFFAOYSA-N
XLogP2.19
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate 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

(3-acetyloxy-4-hydroxy-2-iodo-5-methoxyphenyl) acetate
CID 163968494
(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
CID 162497593
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
2,6-diiodo-3,5-dimethoxyphenol
CID 10501483
[4-[2-iodo-4-(2-methylprop-2-enoyloxy)phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 170185899
(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate
CID 86087560
(3,5-diiodo-2-methylphenyl) 2-methylprop-2-enoate
CID 170657693
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 2-methylprop-2-enoate
CID 139950809
methyl 4-bromo-3-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate
CID 175115413
(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate
CID 22153350
[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 139671519

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate?
The IUPAC name of (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate (CID 163887964) is (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(OC)c(O)c(I)c1O.
What is the InChIKey of (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate?
The InChIKey is SOVNLGXEMPMTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO5/c1-5(2)11(15)17-7-4-6(16-3)9(13)8(12)10(7)14/h4,13-14H,1H2,2-3H3.
What are the key properties of (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate?
(2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate has a molecular weight of 350.11 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 163887964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).