methyl 3-iodo-2,3-diphenylpropanoate

C16H15IO2 — CID 10451510

IUPACmethyl 3-iodo-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(I)c1ccccc1
InChIInChI=1S/C16H15IO2/c1-19-16(18)14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-15H,1H3
InChIKeyLSLSBWDBZZXYKH-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.12
Rot. Bonds4

About methyl 3-iodo-2,3-diphenylpropanoate

methyl 3-iodo-2,3-diphenylpropanoate (PubChem CID 10451510) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is methyl 3-iodo-2,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-iodo-2,3-diphenylpropanoate
PubChem CID10451510
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Namemethyl 3-iodo-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(I)c1ccccc1
InChIInChI=1S/C16H15IO2/c1-19-16(18)14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-15H,1H3
InChIKeyLSLSBWDBZZXYKH-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
methyl 3-methyl-4-oxo-2-phenylpentanoate
CID 101419627
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
methyl 3-methyl-2-(4-phenylphenyl)butanoate
CID 65454371
methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate
CID 164670038
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate
CID 13248569
methyl (2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylpropanoate
CID 72545735
methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
CID 638407
methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 134922175
N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660

Frequently Asked Questions

What is the IUPAC name of methyl 3-iodo-2,3-diphenylpropanoate?
The IUPAC name of methyl 3-iodo-2,3-diphenylpropanoate (CID 10451510) is methyl 3-iodo-2,3-diphenylpropanoate.
What is the SMILES notation for methyl 3-iodo-2,3-diphenylpropanoate?
The canonical SMILES for methyl 3-iodo-2,3-diphenylpropanoate is COC(=O)C(c1ccccc1)C(I)c1ccccc1.
What is the InChIKey of methyl 3-iodo-2,3-diphenylpropanoate?
The InChIKey is LSLSBWDBZZXYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c1-19-16(18)14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-15H,1H3.
What are the key properties of methyl 3-iodo-2,3-diphenylpropanoate?
methyl 3-iodo-2,3-diphenylpropanoate has a molecular weight of 366.20 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-iodo-2,3-diphenylpropanoate is sourced from PubChem (CID 10451510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).