(2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one

C28H32O2 — CID 98142205

IUPAC(2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)[C@H](O)[C@@H](c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1
InChIInChI=1S/C28H32O2/c1-16-13-19(4)24(20(5)14-16)27(29)28(30)26(23-11-9-8-10-12-23)25-21(6)17(2)15-18(3)22(25)7/h8-15,26,28,30H,1-7H3/t26-,28+/m0/s1
InChIKeyHVHLUFAYNCBUBY-XTEPFMGCSA-N
MW400.56 g/mol
LogP6.22
Rot. Bonds5

About (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one

(2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 98142205) has the molecular formula C28H32O2 and a molecular weight of 400.56 g/mol. Its IUPAC name is (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID98142205
Molecular FormulaC28H32O2
Molecular Weight400.56 g/mol
Exact Mass400.24
IUPAC Name(2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)[C@H](O)[C@@H](c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1
InChIInChI=1S/C28H32O2/c1-16-13-19(4)24(20(5)14-16)27(29)28(30)26(23-11-9-8-10-12-23)25-21(6)17(2)15-18(3)22(25)7/h8-15,26,28,30H,1-7H3/t26-,28+/m0/s1
InChIKeyHVHLUFAYNCBUBY-XTEPFMGCSA-N
XLogP6.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
CID 175015018
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
tert-butyl 3-oxo-2-phenyl-3-(2,4,6-trimethylphenyl)propanoate;oxophosphanium
CID 158574727
2-[[2-[[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]amino]-1,2-diphenylethyl]iminomethyl]-1-(2,4,6-trimethylphenyl)butane-1,3-dione
CID 18915759
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone
CID 106880956
methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane
CID 157104777

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one (CID 98142205) is (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)[C@H](O)[C@@H](c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1.
What is the InChIKey of (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is HVHLUFAYNCBUBY-XTEPFMGCSA-N. The full InChI is InChI=1S/C28H32O2/c1-16-13-19(4)24(20(5)14-16)27(29)28(30)26(23-11-9-8-10-12-23)25-21(6)17(2)15-18(3)22(25)7/h8-15,26,28,30H,1-7H3/t26-,28+/m0/s1.
What are the key properties of (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
(2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 400.56 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 98142205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).