phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate

C16H15IO3 — CID 142680696

IUPACphenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate
SMILESC[C@H](OCc1ccc(I)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H15IO3/c1-12(16(18)20-15-5-3-2-4-6-15)19-11-13-7-9-14(17)10-8-13/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyIHQFDOVZPVDREF-LBPRGKRZSA-N
MW382.20 g/mol
LogP3.80
Rot. Bonds5

About phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate

phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate (PubChem CID 142680696) has the molecular formula C16H15IO3 and a molecular weight of 382.20 g/mol. Its IUPAC name is phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate.

Molecular Properties

Compound Namephenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate
PubChem CID142680696
Molecular FormulaC16H15IO3
Molecular Weight382.20 g/mol
Exact Mass382.01
IUPAC Namephenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate
SMILESC[C@H](OCc1ccc(I)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H15IO3/c1-12(16(18)20-15-5-3-2-4-6-15)19-11-13-7-9-14(17)10-8-13/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyIHQFDOVZPVDREF-LBPRGKRZSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl (2S)-2-[(4-iodophenyl)methoxy]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

phenyl 2-phenylmethoxypropanoate
CID 15731819
phenyl (2S)-2-methoxypropanoate
CID 12621314
ethyl 2-[(4-phenylphenyl)methoxy]propanoate
CID 58354424
(2R)-2-[(4-phenylphenyl)methoxy]propanoic acid
CID 104875216
ethane;(2S)-2-[2-[(2S)-2-[2-(2-phenylmethoxypropanoyloxy)propanoyloxy]propanoyl]oxypropanoyloxy]propanoic acid
CID 143088943
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
phenyl 2-diethylboranylperoxypropanoate
CID 101050574
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate
CID 55684573

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate?
The IUPAC name of phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate (CID 142680696) is phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate.
What is the SMILES notation for phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate?
The canonical SMILES for phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate is C[C@H](OCc1ccc(I)cc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate?
The InChIKey is IHQFDOVZPVDREF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15IO3/c1-12(16(18)20-15-5-3-2-4-6-15)19-11-13-7-9-14(17)10-8-13/h2-10,12H,11H2,1H3/t12-/m0/s1.
What are the key properties of phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate?
phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate has a molecular weight of 382.20 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate is sourced from PubChem (CID 142680696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).