propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate

C18H19FO2 — CID 13293233

IUPACpropan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C)OC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C18H19FO2/c1-12(2)21-18(20)13(3)15-9-10-16(17(19)11-15)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyUDWDFHBYTSGDDW-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.55
Rot. Bonds4

About propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate

propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 13293233) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID13293233
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Namepropan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C)OC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C18H19FO2/c1-12(2)21-18(20)13(3)15-9-10-16(17(19)11-15)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyUDWDFHBYTSGDDW-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate 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 propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate (CID 13293233) is propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate is CC(C)OC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is UDWDFHBYTSGDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12(2)21-18(20)13(3)15-9-10-16(17(19)11-15)14-7-5-4-6-8-14/h4-13H,1-3H3.
What are the key properties of propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate?
propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 286.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 13293233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).