(4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate

C15H19IO5 — CID 174348041

IUPAC(4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate
SMILESC=Cc1cc(I)c(OC(=O)OC(C)OCCC)c(OC)c1
InChIInChI=1S/C15H19IO5/c1-5-7-19-10(3)20-15(17)21-14-12(16)8-11(6-2)9-13(14)18-4/h6,8-10H,2,5,7H2,1,3-4H3
InChIKeyZEAUXHUYTXFWCW-UHFFFAOYSA-N
MW406.22 g/mol
LogP4.23
Rot. Bonds7

About (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate

(4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate (PubChem CID 174348041) has the molecular formula C15H19IO5 and a molecular weight of 406.22 g/mol. Its IUPAC name is (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate.

Molecular Properties

Compound Name(4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate
PubChem CID174348041
Molecular FormulaC15H19IO5
Molecular Weight406.22 g/mol
Exact Mass406.03
IUPAC Name(4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate
SMILESC=Cc1cc(I)c(OC(=O)OC(C)OCCC)c(OC)c1
InChIInChI=1S/C15H19IO5/c1-5-7-19-10(3)20-15(17)21-14-12(16)8-11(6-2)9-13(14)18-4/h6,8-10H,2,5,7H2,1,3-4H3
InChIKeyZEAUXHUYTXFWCW-UHFFFAOYSA-N
XLogP4.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(4-ethenyl-2-iodo-6-methoxyphenyl) propyl carbonate
CID 174348031
5-ethenyl-1-iodo-3-methoxy-2-(1-phenoxyethoxy)benzene
CID 167145370
methyl 2-(4-ethenyl-2-iodo-6-methoxyphenoxy)acetate
CID 167145356
(4-ethenyl-2-ethoxy-6-iodophenyl) acetate
CID 164549667
4-(4-ethenyl-2-iodo-6-methoxyphenoxy)benzoic acid
CID 176720437
5-ethenyl-1,2,3-tripropoxybenzene
CID 102253106
1-[4-(1-hydroxyethoxy)-3-iodo-5-methoxyphenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione
CID 18467388
[4-(1-ethoxyethoxy)-3-iodo-5-methoxyphenyl] 2-methylprop-2-enoate
CID 163689525
1-[4-(1-ethoxyethoxy)-3-iodo-5-methoxyphenyl]ethanone
CID 162497626
5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene
CID 86096018
(4-ethenyl-2,6-dimethylphenyl) methyl carbonate
CID 58892267
2-[(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]guanidine
CID 168592039

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate?
The IUPAC name of (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate (CID 174348041) is (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate.
What is the SMILES notation for (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate?
The canonical SMILES for (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate is C=Cc1cc(I)c(OC(=O)OC(C)OCCC)c(OC)c1.
What is the InChIKey of (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate?
The InChIKey is ZEAUXHUYTXFWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IO5/c1-5-7-19-10(3)20-15(17)21-14-12(16)8-11(6-2)9-13(14)18-4/h6,8-10H,2,5,7H2,1,3-4H3.
What are the key properties of (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate?
(4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate has a molecular weight of 406.22 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2-iodo-6-methoxyphenyl) 1-propoxyethyl carbonate is sourced from PubChem (CID 174348041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).