methyl 3-(2-iodophenyl)-2-phenylpropanoate

C16H15IO2 — CID 10737594

IUPACmethyl 3-(2-iodophenyl)-2-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1I)c1ccccc1
InChIInChI=1S/C16H15IO2/c1-19-16(18)14(12-7-3-2-4-8-12)11-13-9-5-6-10-15(13)17/h2-10,14H,11H2,1H3
InChIKeyJJJMJKSWZHDHPY-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.79
Rot. Bonds4

About methyl 3-(2-iodophenyl)-2-phenylpropanoate

methyl 3-(2-iodophenyl)-2-phenylpropanoate (PubChem CID 10737594) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is methyl 3-(2-iodophenyl)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-iodophenyl)-2-phenylpropanoate
PubChem CID10737594
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Namemethyl 3-(2-iodophenyl)-2-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1I)c1ccccc1
InChIInChI=1S/C16H15IO2/c1-19-16(18)14(12-7-3-2-4-8-12)11-13-9-5-6-10-15(13)17/h2-10,14H,11H2,1H3
InChIKeyJJJMJKSWZHDHPY-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
methyl 3-(1H-indol-3-yl)-2-phenylpropanoate
CID 134951107
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
3-(2-iodophenyl)-2-methoxypropanoic acid
CID 70425557
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate
CID 21044322
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431
methyl 3-(2-iodophenyl)-2-oxopropanoate
CID 18370904
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
2-chloro-3-(2-iodophenyl)propanamide
CID 104513226
methyl (2S)-3-(2-iodophenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoate
CID 46216872

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-iodophenyl)-2-phenylpropanoate?
The IUPAC name of methyl 3-(2-iodophenyl)-2-phenylpropanoate (CID 10737594) is methyl 3-(2-iodophenyl)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(2-iodophenyl)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(2-iodophenyl)-2-phenylpropanoate is COC(=O)C(Cc1ccccc1I)c1ccccc1.
What is the InChIKey of methyl 3-(2-iodophenyl)-2-phenylpropanoate?
The InChIKey is JJJMJKSWZHDHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c1-19-16(18)14(12-7-3-2-4-8-12)11-13-9-5-6-10-15(13)17/h2-10,14H,11H2,1H3.
What are the key properties of methyl 3-(2-iodophenyl)-2-phenylpropanoate?
methyl 3-(2-iodophenyl)-2-phenylpropanoate has a molecular weight of 366.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-iodophenyl)-2-phenylpropanoate is sourced from PubChem (CID 10737594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).