(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one

C24H24O4 — CID 58354450

IUPAC(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one
SMILESC[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)CO)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H24O4/c1-24(22(26)16-25,23(27)21-10-6-3-7-11-21)28-17-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15,23,25,27H,16-17H2,1H3/t23-,24+/m0/s1
InChIKeyXFXIEKKGRGCSOF-BJKOFHAPSA-N
MW376.45 g/mol
LogP3.92
Rot. Bonds8

About (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one

(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one (PubChem CID 58354450) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one.

Molecular Properties

Compound Name(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one
PubChem CID58354450
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one
SMILESC[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)CO)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H24O4/c1-24(22(26)16-25,23(27)21-10-6-3-7-11-21)28-17-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15,23,25,27H,16-17H2,1H3/t23-,24+/m0/s1
InChIKeyXFXIEKKGRGCSOF-BJKOFHAPSA-N
XLogP3.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one?
The IUPAC name of (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one (CID 58354450) is (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one.
What is the SMILES notation for (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one?
The canonical SMILES for (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one is C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)CO)[C@@H](O)c1ccccc1.
What is the InChIKey of (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one?
The InChIKey is XFXIEKKGRGCSOF-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H24O4/c1-24(22(26)16-25,23(27)21-10-6-3-7-11-21)28-17-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15,23,25,27H,16-17H2,1H3/t23-,24+/m0/s1.
What are the key properties of (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one?
(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one has a molecular weight of 376.45 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one is sourced from PubChem (CID 58354450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).