3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one

C21H24O4 — CID 175704977

IUPAC3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one
SMILESCC(C)(O)C(=O)c1ccc(CC(=O)C(C)(O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24O4/c1-20(2,24)19(23)17-11-9-15(10-12-17)13-18(22)21(3,25)14-16-7-5-4-6-8-16/h4-12,24-25H,13-14H2,1-3H3
InChIKeyLQUHHUVIDOFPDW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.75
Rot. Bonds7

About 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one

3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one (PubChem CID 175704977) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one
PubChem CID175704977
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one
SMILESCC(C)(O)C(=O)c1ccc(CC(=O)C(C)(O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24O4/c1-20(2,24)19(23)17-11-9-15(10-12-17)13-18(22)21(3,25)14-16-7-5-4-6-8-16/h4-12,24-25H,13-14H2,1-3H3
InChIKeyLQUHHUVIDOFPDW-UHFFFAOYSA-N
XLogP2.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 18459418
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
(2S,3S)-2,3-dihydroxy-2,3-bis(2-phenylacetyl)butanedioic acid
CID 141194460
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one
CID 164767991
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
4-[4-(2-hydroxy-2-methylpropanoyl)phenyl]butanoic acid
CID 21191564
2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one;bis(3-phenylprop-2-enoic acid)
CID 175840698
1-[3-(chloromethyl)phenyl]-2-hydroxy-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one;methanol;trichloroalumane;hydrofluoride
CID 157062858

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one?
The IUPAC name of 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one (CID 175704977) is 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one.
What is the SMILES notation for 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one?
The canonical SMILES for 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one is CC(C)(O)C(=O)c1ccc(CC(=O)C(C)(O)Cc2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one?
The InChIKey is LQUHHUVIDOFPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-20(2,24)19(23)17-11-9-15(10-12-17)13-18(22)21(3,25)14-16-7-5-4-6-8-16/h4-12,24-25H,13-14H2,1-3H3.
What are the key properties of 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one?
3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one is sourced from PubChem (CID 175704977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).