[(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate

C24H23FO3 — CID 145114643

IUPAC[(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate
SMILESCC(OC(=O)CCc1ccccc1)[C@H](Oc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C24H23FO3/c1-18(27-23(26)16-15-19-9-4-2-5-10-19)24(20-11-6-3-7-12-20)28-22-14-8-13-21(25)17-22/h2-14,17-18,24H,15-16H2,1H3/t18?,24-/m0/s1
InChIKeyLGNCFCCEHCVGSD-LUTIACGYSA-N
MW378.44 g/mol
LogP5.51
Rot. Bonds8

About [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate

[(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate (PubChem CID 145114643) has the molecular formula C24H23FO3 and a molecular weight of 378.44 g/mol. Its IUPAC name is [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate.

Molecular Properties

Compound Name[(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate
PubChem CID145114643
Molecular FormulaC24H23FO3
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name[(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate
SMILESCC(OC(=O)CCc1ccccc1)[C@H](Oc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C24H23FO3/c1-18(27-23(26)16-15-19-9-4-2-5-10-19)24(20-11-6-3-7-12-20)28-22-14-8-13-21(25)17-22/h2-14,17-18,24H,15-16H2,1H3/t18?,24-/m0/s1
InChIKeyLGNCFCCEHCVGSD-LUTIACGYSA-N
XLogP5.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate 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 [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate?
The IUPAC name of [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate (CID 145114643) is [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate.
What is the SMILES notation for [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate?
The canonical SMILES for [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate is CC(OC(=O)CCc1ccccc1)[C@H](Oc1cccc(F)c1)c1ccccc1.
What is the InChIKey of [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate?
The InChIKey is LGNCFCCEHCVGSD-LUTIACGYSA-N. The full InChI is InChI=1S/C24H23FO3/c1-18(27-23(26)16-15-19-9-4-2-5-10-19)24(20-11-6-3-7-12-20)28-22-14-8-13-21(25)17-22/h2-14,17-18,24H,15-16H2,1H3/t18?,24-/m0/s1.
What are the key properties of [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate?
[(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate has a molecular weight of 378.44 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate is sourced from PubChem (CID 145114643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).