(2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one

C21H26O3 — CID 101224854

IUPAC(2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one
SMILESCC(C)[C@@H](O)[C@@H](C(=O)c1ccccc1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C21H26O3/c1-15(2)20(23)19(21(24)17-11-7-4-8-12-17)18(22)14-13-16-9-5-3-6-10-16/h3-12,15,18-20,22-23H,13-14H2,1-2H3/t18-,19+,20-/m1/s1
InChIKeyMQRAWJAOMXTXFO-HSALFYBXSA-N
MW326.44 g/mol
LogP3.50
Rot. Bonds8

About (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one

(2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one (PubChem CID 101224854) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one
PubChem CID101224854
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one
SMILESCC(C)[C@@H](O)[C@@H](C(=O)c1ccccc1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C21H26O3/c1-15(2)20(23)19(21(24)17-11-7-4-8-12-17)18(22)14-13-16-9-5-3-6-10-16/h3-12,15,18-20,22-23H,13-14H2,1-2H3/t18-,19+,20-/m1/s1
InChIKeyMQRAWJAOMXTXFO-HSALFYBXSA-N
XLogP3.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-1-phenylhexan-1-one
CID 11221099
2,3-dihydroxy-1,5-diphenylpentan-1-one
CID 12776717
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one
CID 101155238
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
(4S,5R)-5-hydroxy-4-methyl-7-phenylheptan-3-one
CID 11042266
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15441495
benzyl (2S,3S)-3-hydroxy-2-methyl-5-phenylpentanoate
CID 102173872

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one (CID 101224854) is (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one is CC(C)[C@@H](O)[C@@H](C(=O)c1ccccc1)[C@H](O)CCc1ccccc1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one?
The InChIKey is MQRAWJAOMXTXFO-HSALFYBXSA-N. The full InChI is InChI=1S/C21H26O3/c1-15(2)20(23)19(21(24)17-11-7-4-8-12-17)18(22)14-13-16-9-5-3-6-10-16/h3-12,15,18-20,22-23H,13-14H2,1-2H3/t18-,19+,20-/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one?
(2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one is sourced from PubChem (CID 101224854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).