2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid

C20H20O6 — CID 124835055

IUPAC2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid
SMILESC[C@@H](C(=O)OCCOCC(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H20O6/c1-14(20(24)26-11-10-25-13-18(21)22)16-8-5-9-17(12-16)19(23)15-6-3-2-4-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyGRMJBYIASFVWPS-CQSZACIVSA-N
MW356.37 g/mol
LogP2.67
Rot. Bonds9

About 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid

2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid (PubChem CID 124835055) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid
PubChem CID124835055
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid
SMILESC[C@@H](C(=O)OCCOCC(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H20O6/c1-14(20(24)26-11-10-25-13-18(21)22)16-8-5-9-17(12-16)19(23)15-6-3-2-4-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyGRMJBYIASFVWPS-CQSZACIVSA-N
XLogP2.67
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetyl]oxyethoxy]-2-oxoethoxy]ethyl (2S)-2-(3-benzoylphenyl)propanoate
CID 124834995
2-chloroethyl (2S)-2-(3-benzoylphenyl)propanoate
CID 101053199
3-hydroxybutyl 2-(3-benzoylphenyl)propanoate
CID 129318298
[2-[2-[2-[2-(3-benzoylphenyl)propanoyloxy]acetyl]oxyethoxy]-2-oxoethyl] 2-(4-benzoylphenyl)propanoate
CID 132939559
6-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyhexanoic acid
CID 124835090
aminoazanium;3-hydroxypropyl 2-(3-benzoylphenyl)propanoate
CID 143520637
3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate
CID 146615708
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918
2-(butanoylamino)ethyl 2-(3-benzoylphenyl)propanoate
CID 157445018
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
2-(2-nitrooxyethyldisulfanyl)ethyl 2-(3-benzoylphenyl)propanoate
CID 11502991

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid?
The IUPAC name of 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid (CID 124835055) is 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid is C[C@@H](C(=O)OCCOCC(=O)O)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid?
The InChIKey is GRMJBYIASFVWPS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20O6/c1-14(20(24)26-11-10-25-13-18(21)22)16-8-5-9-17(12-16)19(23)15-6-3-2-4-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid?
2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid has a molecular weight of 356.37 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid is sourced from PubChem (CID 124835055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).