methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate

C18H21IO4 — CID 142194241

IUPACmethyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccccc2)cc1.COI
InChIInChI=1S/C17H18O3.CH3IO/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15;1-3-2/h2-8,10-11H,9,12-13H2,1H3;1H3
InChIKeyKIYXBWXQKGQIKT-UHFFFAOYSA-N
MW428.27 g/mol
LogP4.35
Rot. Bonds6

About methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate

methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 142194241) has the molecular formula C18H21IO4 and a molecular weight of 428.27 g/mol. Its IUPAC name is methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
PubChem CID142194241
Molecular FormulaC18H21IO4
Molecular Weight428.27 g/mol
Exact Mass428.05
IUPAC Namemethyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccccc2)cc1.COI
InChIInChI=1S/C17H18O3.CH3IO/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15;1-3-2/h2-8,10-11H,9,12-13H2,1H3;1H3
InChIKeyKIYXBWXQKGQIKT-UHFFFAOYSA-N
XLogP4.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate 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

methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
methyl 3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 86695725
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-[4-(4-phenoxybutoxy)phenyl]propanoate
CID 67685934
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate
CID 23159922
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626

Frequently Asked Questions

What is the IUPAC name of methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate (CID 142194241) is methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate is COC(=O)CCc1ccc(OCc2ccccc2)cc1.COI.
What is the InChIKey of methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is KIYXBWXQKGQIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3.CH3IO/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15;1-3-2/h2-8,10-11H,9,12-13H2,1H3;1H3.
What are the key properties of methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate?
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 428.27 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 142194241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).