5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid

C24H22O4 — CID 11111556

IUPAC5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
SMILESCOc1ccc(C(=O)CC(c2ccccc2)C(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C24H22O4/c1-28-20-14-12-18(13-15-20)22(25)16-21(17-8-4-2-5-9-17)23(24(26)27)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3,(H,26,27)
InChIKeyQSTNFAHLTANHAC-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.92
Rot. Bonds8

About 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid

5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid (PubChem CID 11111556) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
PubChem CID11111556
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
SMILESCOc1ccc(C(=O)CC(c2ccccc2)C(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C24H22O4/c1-28-20-14-12-18(13-15-20)22(25)16-21(17-8-4-2-5-9-17)23(24(26)27)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3,(H,26,27)
InChIKeyQSTNFAHLTANHAC-UHFFFAOYSA-N
XLogP4.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 101235083
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
(2S)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid;(2R)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 157441521
(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 10867909
diethyl 2-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedioate
CID 97304069
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690
3-benzylsulfanyl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 86240848
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
tert-butyl (2R,3S)-2-(benzhydrylideneamino)-5-(4-methoxyphenyl)-5-oxo-3-phenylpentanoate
CID 87428032

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid?
The IUPAC name of 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid (CID 11111556) is 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid is COc1ccc(C(=O)CC(c2ccccc2)C(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid?
The InChIKey is QSTNFAHLTANHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-28-20-14-12-18(13-15-20)22(25)16-21(17-8-4-2-5-9-17)23(24(26)27)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3,(H,26,27).
What are the key properties of 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid?
5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid has a molecular weight of 374.44 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid is sourced from PubChem (CID 11111556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).