(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione

C25H24O5 — CID 101235083

IUPAC(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
SMILESCOc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H](O)C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C25H24O5/c1-29-19-14-12-18(13-15-19)22(26)16-21(17-8-4-3-5-9-17)25(28)24(27)20-10-6-7-11-23(20)30-2/h3-15,21,25,28H,16H2,1-2H3/t21-,25-/m1/s1
InChIKeyXYJSNDGATVAJOT-PXDATVDWSA-N
MW404.46 g/mol
LogP4.30
Rot. Bonds9

About (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione

(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione (PubChem CID 101235083) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
PubChem CID101235083
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
SMILESCOc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H](O)C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C25H24O5/c1-29-19-14-12-18(13-15-19)22(26)16-21(17-8-4-3-5-9-17)25(28)24(27)20-10-6-7-11-23(20)30-2/h3-15,21,25,28H,16H2,1-2H3/t21-,25-/m1/s1
InChIKeyXYJSNDGATVAJOT-PXDATVDWSA-N
XLogP4.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione with MolForge

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Related Compounds

5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
CID 11111556
1-(2-aminophenyl)-2-(4-methoxyphenyl)-4-phenylbutane-1,4-dione
CID 177441445
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
CID 102254058
diethyl 2-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedioate
CID 97304069
3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one
CID 116553157
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 10867909
2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]benzoic acid
CID 11078900
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690
tert-butyl (2R,3S)-2-(benzhydrylideneamino)-5-(4-methoxyphenyl)-5-oxo-3-phenylpentanoate
CID 87428032

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione?
The IUPAC name of (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione (CID 101235083) is (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione.
What is the SMILES notation for (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione?
The canonical SMILES for (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione is COc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H](O)C(=O)c2ccccc2OC)cc1.
What is the InChIKey of (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione?
The InChIKey is XYJSNDGATVAJOT-PXDATVDWSA-N. The full InChI is InChI=1S/C25H24O5/c1-29-19-14-12-18(13-15-19)22(26)16-21(17-8-4-3-5-9-17)25(28)24(27)20-10-6-7-11-23(20)30-2/h3-15,21,25,28H,16H2,1-2H3/t21-,25-/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione?
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione has a molecular weight of 404.46 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione is sourced from PubChem (CID 101235083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).