2-(2-benzoylphenoxy)-4-phenylbutanoic acid

C23H20O4 — CID 59214948

IUPAC2-(2-benzoylphenoxy)-4-phenylbutanoic acid
SMILESO=C(c1ccccc1)c1ccccc1OC(CCc1ccccc1)C(=O)O
InChIInChI=1S/C23H20O4/c24-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)27-21(23(25)26)16-15-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,25,26)
InChIKeyRUOQQKNTYSVDAE-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.38
Rot. Bonds8

About 2-(2-benzoylphenoxy)-4-phenylbutanoic acid

2-(2-benzoylphenoxy)-4-phenylbutanoic acid (PubChem CID 59214948) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(2-benzoylphenoxy)-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-(2-benzoylphenoxy)-4-phenylbutanoic acid
PubChem CID59214948
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name2-(2-benzoylphenoxy)-4-phenylbutanoic acid
SMILESO=C(c1ccccc1)c1ccccc1OC(CCc1ccccc1)C(=O)O
InChIInChI=1S/C23H20O4/c24-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)27-21(23(25)26)16-15-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,25,26)
InChIKeyRUOQQKNTYSVDAE-UHFFFAOYSA-N
XLogP4.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzoylphenoxy)-2-phenylacetic acid
CID 135075285
(2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid
CID 126455555
4-[4-(4-chlorophenyl)phenyl]-2-[2-[(Z)-3-(furan-2-yl)-1-hydroxy-3-oxoprop-1-enyl]phenoxy]butanoic acid
CID 59214929
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-(2-aminoethoxy)-4-phenylbutanoic acid
CID 82352626
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
(2-benzoylphenyl) 2-methoxyacetate
CID 150870757
2-(1,3-benzodioxol-5-yloxy)-4-phenylbutanoic acid
CID 59215024
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
(2S)-2-azaniumyloxy-4-phenylbutanoate;hydrobromide
CID 170845496
phenyl-(2-propoxyphenyl)methanone
CID 15556308

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylphenoxy)-4-phenylbutanoic acid?
The IUPAC name of 2-(2-benzoylphenoxy)-4-phenylbutanoic acid (CID 59214948) is 2-(2-benzoylphenoxy)-4-phenylbutanoic acid.
What is the SMILES notation for 2-(2-benzoylphenoxy)-4-phenylbutanoic acid?
The canonical SMILES for 2-(2-benzoylphenoxy)-4-phenylbutanoic acid is O=C(c1ccccc1)c1ccccc1OC(CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-benzoylphenoxy)-4-phenylbutanoic acid?
The InChIKey is RUOQQKNTYSVDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c24-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)27-21(23(25)26)16-15-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,25,26).
What are the key properties of 2-(2-benzoylphenoxy)-4-phenylbutanoic acid?
2-(2-benzoylphenoxy)-4-phenylbutanoic acid has a molecular weight of 360.41 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylphenoxy)-4-phenylbutanoic acid is sourced from PubChem (CID 59214948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).