ethyl 2-(4-iodophenoxy)propanoate

C11H13IO3 — CID 17024636

IUPACethyl 2-(4-iodophenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(I)cc1
InChIInChI=1S/C11H13IO3/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3
InChIKeySHBODRNPEFIEIG-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.62
Rot. Bonds4

About ethyl 2-(4-iodophenoxy)propanoate

ethyl 2-(4-iodophenoxy)propanoate (PubChem CID 17024636) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is ethyl 2-(4-iodophenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-iodophenoxy)propanoate
PubChem CID17024636
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Nameethyl 2-(4-iodophenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(I)cc1
InChIInChI=1S/C11H13IO3/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3
InChIKeySHBODRNPEFIEIG-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl (2S)-2-hydroxypropanoate;ethyl (2R)-2-(4-iodophenoxy)propanoate;4-iodophenol
CID 158675061
CID 59993707
CID 59993707
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
tert-butyl 2-(4-iodophenoxy)propanoate
CID 66338461
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
3-diethoxyphosphorylpropyl (2R)-2-[4-(4-iodophenoxy)phenoxy]propanoate
CID 13325166
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092
(pentan-3-ylideneamino) 2-[4-(4-iodophenoxy)phenoxy]propanoate
CID 20513702
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-iodophenoxy)propanoate?
The IUPAC name of ethyl 2-(4-iodophenoxy)propanoate (CID 17024636) is ethyl 2-(4-iodophenoxy)propanoate.
What is the SMILES notation for ethyl 2-(4-iodophenoxy)propanoate?
The canonical SMILES for ethyl 2-(4-iodophenoxy)propanoate is CCOC(=O)C(C)Oc1ccc(I)cc1.
What is the InChIKey of ethyl 2-(4-iodophenoxy)propanoate?
The InChIKey is SHBODRNPEFIEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-iodophenoxy)propanoate?
ethyl 2-(4-iodophenoxy)propanoate has a molecular weight of 320.13 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-iodophenoxy)propanoate is sourced from PubChem (CID 17024636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).