benzyl 2-(4-iodophenoxy)acetate

C15H13IO3 — CID 70249415

IUPACbenzyl 2-(4-iodophenoxy)acetate
SMILESO=C(COc1ccc(I)cc1)OCc1ccccc1
InChIInChI=1S/C15H13IO3/c16-13-6-8-14(9-7-13)18-11-15(17)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyVEPMRIZJFYDPMD-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.41
Rot. Bonds5

About benzyl 2-(4-iodophenoxy)acetate

benzyl 2-(4-iodophenoxy)acetate (PubChem CID 70249415) has the molecular formula C15H13IO3 and a molecular weight of 368.17 g/mol. Its IUPAC name is benzyl 2-(4-iodophenoxy)acetate.

Molecular Properties

Compound Namebenzyl 2-(4-iodophenoxy)acetate
PubChem CID70249415
Molecular FormulaC15H13IO3
Molecular Weight368.17 g/mol
Exact Mass367.99
IUPAC Namebenzyl 2-(4-iodophenoxy)acetate
SMILESO=C(COc1ccc(I)cc1)OCc1ccccc1
InChIInChI=1S/C15H13IO3/c16-13-6-8-14(9-7-13)18-11-15(17)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyVEPMRIZJFYDPMD-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.41
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

[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
benzyl 2-(1H-pyrazol-4-yloxy)acetate
CID 154815213
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-iodophenoxy)acetate
CID 95795789
(3-cyanophenyl)methyl 2-(4-phenylphenoxy)acetate
CID 9140499
benzyl (2S)-2-amino-3-[4-(2-ethoxy-2-oxoethoxy)phenyl]propanoate
CID 139716314
(2S)-2-ethoxy-3-[4-(2-oxo-2-phenylmethoxyethoxy)phenyl]pentanoic acid
CID 68854069
benzyl 2-(3-fluoro-4-nitrophenoxy)acetate
CID 118213600
(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321388

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-iodophenoxy)acetate?
The IUPAC name of benzyl 2-(4-iodophenoxy)acetate (CID 70249415) is benzyl 2-(4-iodophenoxy)acetate.
What is the SMILES notation for benzyl 2-(4-iodophenoxy)acetate?
The canonical SMILES for benzyl 2-(4-iodophenoxy)acetate is O=C(COc1ccc(I)cc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(4-iodophenoxy)acetate?
The InChIKey is VEPMRIZJFYDPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO3/c16-13-6-8-14(9-7-13)18-11-15(17)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of benzyl 2-(4-iodophenoxy)acetate?
benzyl 2-(4-iodophenoxy)acetate has a molecular weight of 368.17 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-iodophenoxy)acetate is sourced from PubChem (CID 70249415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).