methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate

C16H15FO3 — CID 20559791

IUPACmethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H15FO3/c1-16(19,15(18)20-2)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeyZXYQKFKOTLXESZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.87
Rot. Bonds3

About methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate

methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate (PubChem CID 20559791) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate
PubChem CID20559791
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H15FO3/c1-16(19,15(18)20-2)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeyZXYQKFKOTLXESZ-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate?
The IUPAC name of methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate (CID 20559791) is methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate.
What is the SMILES notation for methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate?
The canonical SMILES for methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate is COC(=O)C(C)(O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate?
The InChIKey is ZXYQKFKOTLXESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-16(19,15(18)20-2)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h3-10,19H,1-2H3.
What are the key properties of methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate?
methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate has a molecular weight of 274.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate is sourced from PubChem (CID 20559791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).