1-methoxypropan-2-yl 3-iodobenzoate

C11H13IO3 — CID 71145343

IUPAC1-methoxypropan-2-yl 3-iodobenzoate
SMILESCOCC(C)OC(=O)c1cccc(I)c1
InChIInChI=1S/C11H13IO3/c1-8(7-14-2)15-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyRZWVXRHTNKXCGP-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.48
Rot. Bonds4

About 1-methoxypropan-2-yl 3-iodobenzoate

1-methoxypropan-2-yl 3-iodobenzoate (PubChem CID 71145343) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 3-iodobenzoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 3-iodobenzoate
PubChem CID71145343
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Name1-methoxypropan-2-yl 3-iodobenzoate
SMILESCOCC(C)OC(=O)c1cccc(I)c1
InChIInChI=1S/C11H13IO3/c1-8(7-14-2)15-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyRZWVXRHTNKXCGP-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-methoxypropan-2-yl] 3-cyanobenzoate
CID 95931923
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
CID 23036606
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-iodobenzoate
CID 9416986
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-iodobenzoate
CID 8011111
1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 113363691
1-methoxypropan-2-yl 4-tert-butylbenzoate
CID 90150933
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-iodobenzoate
CID 2394042
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide
CID 114310082
1-methoxypropan-2-yl 4-amino-3,5-dichlorobenzoate
CID 82830079
1-(2-methylpropoxy)propan-2-yl 3-chlorobenzoate
CID 71145410
(1-methoxy-3-methylbutan-2-yl) 3-chlorobenzoate
CID 71145551
1-ethoxypropan-2-yl 3-chlorobenzoate
CID 71145006

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 3-iodobenzoate?
The IUPAC name of 1-methoxypropan-2-yl 3-iodobenzoate (CID 71145343) is 1-methoxypropan-2-yl 3-iodobenzoate.
What is the SMILES notation for 1-methoxypropan-2-yl 3-iodobenzoate?
The canonical SMILES for 1-methoxypropan-2-yl 3-iodobenzoate is COCC(C)OC(=O)c1cccc(I)c1.
What is the InChIKey of 1-methoxypropan-2-yl 3-iodobenzoate?
The InChIKey is RZWVXRHTNKXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c1-8(7-14-2)15-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-methoxypropan-2-yl 3-iodobenzoate?
1-methoxypropan-2-yl 3-iodobenzoate has a molecular weight of 320.13 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 3-iodobenzoate is sourced from PubChem (CID 71145343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).