propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate

C19H20O3 — CID 129318918

IUPACpropan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
SMILESCC(C)OC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-13(2)22-19(21)14(3)16-10-7-11-17(12-16)18(20)15-8-5-4-6-9-15/h4-14H,1-3H3/t14-/m0/s1
InChIKeyIXHQKBLIJOIESQ-AWEZNQCLSA-N
MW296.37 g/mol
LogP3.97
Rot. Bonds5

About propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate

propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate (PubChem CID 129318918) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
PubChem CID129318918
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namepropan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
SMILESCC(C)OC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-13(2)22-19(21)14(3)16-10-7-11-17(12-16)18(20)15-8-5-4-6-9-15/h4-14H,1-3H3/t14-/m0/s1
InChIKeyIXHQKBLIJOIESQ-AWEZNQCLSA-N
XLogP3.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl (2S)-2-(3-benzoylphenyl)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

[2-[(2S)-2-(3-benzoylphenyl)propanoyl]oxy-1-carboxypropyl]azanium
CID 143048275
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
CID 66964934
CID 66964934
CID 157056025
CID 157056025
2-chloroethyl (2S)-2-(3-benzoylphenyl)propanoate
CID 101053199
3-hydroxybutyl 2-(3-benzoylphenyl)propanoate
CID 129318298
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
(2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate
CID 1019512
aminoazanium;3-hydroxypropyl 2-(3-benzoylphenyl)propanoate
CID 143520637
2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid
CID 124835055
2-(3-benzoylphenyl)propanoic acid;phenol
CID 161129325

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate?
The IUPAC name of propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate (CID 129318918) is propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate?
The canonical SMILES for propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate is CC(C)OC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate?
The InChIKey is IXHQKBLIJOIESQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20O3/c1-13(2)22-19(21)14(3)16-10-7-11-17(12-16)18(20)15-8-5-4-6-9-15/h4-14H,1-3H3/t14-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate?
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate has a molecular weight of 296.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate is sourced from PubChem (CID 129318918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).