(2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione

C24H22O2 — CID 131847928

IUPAC(2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione
SMILESCC(=O)[C@@H](c1ccccc1)[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H22O2/c1-17-13-15-21(16-14-17)24(26)23(20-11-7-4-8-12-20)22(18(2)25)19-9-5-3-6-10-19/h3-16,22-23H,1-2H3/t22-,23-/m0/s1
InChIKeyLIDPJCOPCOZVFU-GOTSBHOMSA-N
MW342.44 g/mol
LogP5.33
Rot. Bonds6

About (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione

(2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione (PubChem CID 131847928) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione.

Molecular Properties

Compound Name(2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione
PubChem CID131847928
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione
SMILESCC(=O)[C@@H](c1ccccc1)[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H22O2/c1-17-13-15-21(16-14-17)24(26)23(20-11-7-4-8-12-20)22(18(2)25)19-9-5-3-6-10-19/h3-16,22-23H,1-2H3/t22-,23-/m0/s1
InChIKeyLIDPJCOPCOZVFU-GOTSBHOMSA-N
XLogP5.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(4-fluorophenyl)-2,3-diphenylbutane-1,4-dione
CID 70902431
1,4-bis(4-tert-butylphenyl)-2,3-diphenylbutane-1,4-dione
CID 102447395
1,4-bis(4-bromophenyl)-2,3-diphenylbutane-1,4-dione
CID 134852094
2-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-diphenylbutane-1,4-dione
CID 122386072
(3R)-4-methyl-3-phenylpentan-2-one
CID 7018943
2,4-bis(4-methylphenyl)-1,1,5,5-tetraphenylpentan-3-one
CID 174794118
1,2,3-triphenylhexane-1,5-dione
CID 538859
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
CID 46221169
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 43833720
1-(4-methylphenyl)-3-[4-[3-(4-methylphenyl)-3-oxo-2-phenylpropyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 71344000

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione?
The IUPAC name of (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione (CID 131847928) is (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione.
What is the SMILES notation for (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione?
The canonical SMILES for (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione is CC(=O)[C@@H](c1ccccc1)[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione?
The InChIKey is LIDPJCOPCOZVFU-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H22O2/c1-17-13-15-21(16-14-17)24(26)23(20-11-7-4-8-12-20)22(18(2)25)19-9-5-3-6-10-19/h3-16,22-23H,1-2H3/t22-,23-/m0/s1.
What are the key properties of (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione?
(2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione has a molecular weight of 342.44 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione is sourced from PubChem (CID 131847928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).