(2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate

C24H22O3 — CID 1019512

IUPAC(2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate
SMILESCc1cccc(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C
InChIInChI=1S/C24H22O3/c1-16-9-7-14-22(17(16)2)27-24(26)18(3)20-12-8-13-21(15-20)23(25)19-10-5-4-6-11-19/h4-15,18H,1-3H3/t18-/m1/s1
InChIKeyZPXMIXWAIMBOIR-GOSISDBHSA-N
MW358.44 g/mol
LogP5.24
Rot. Bonds5

About (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate

(2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate (PubChem CID 1019512) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate.

Molecular Properties

Compound Name(2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate
PubChem CID1019512
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name(2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate
SMILESCc1cccc(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C
InChIInChI=1S/C24H22O3/c1-16-9-7-14-22(17(16)2)27-24(26)18(3)20-12-8-13-21(15-20)23(25)19-10-5-4-6-11-19/h4-15,18H,1-3H3/t18-/m1/s1
InChIKeyZPXMIXWAIMBOIR-GOSISDBHSA-N
XLogP5.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918
(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-[(2S)-2-(3-benzoylphenyl)propanoyl]oxy-1-carboxypropyl]azanium
CID 143048275
[3-[2-(3-benzoylphenyl)propanoyloxy]-5-[(E)-2-[4-[2-(3-benzoylphenyl)propanoyloxy]phenyl]ethenyl]phenyl] 2-(3-acetylphenyl)propanoate
CID 89023163
aminoazanium;3-hydroxypropyl 2-(3-benzoylphenyl)propanoate
CID 143520637
2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid
CID 124835055

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate?
The IUPAC name of (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate (CID 1019512) is (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate.
What is the SMILES notation for (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate?
The canonical SMILES for (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate is Cc1cccc(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C.
What is the InChIKey of (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate?
The InChIKey is ZPXMIXWAIMBOIR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22O3/c1-16-9-7-14-22(17(16)2)27-24(26)18(3)20-12-8-13-21(15-20)23(25)19-10-5-4-6-11-19/h4-15,18H,1-3H3/t18-/m1/s1.
What are the key properties of (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate?
(2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate has a molecular weight of 358.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl) (2R)-2-(3-benzoylphenyl)propanoate is sourced from PubChem (CID 1019512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).