methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate

C18H18O4 — CID 11609089

IUPACmethyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
SMILESCOC(=O)CCC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O4/c1-22-17(20)13-12-16(19)18(21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,21H,12-13H2,1H3
InChIKeyCDYCLUZMYWJJQJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.44
Rot. Bonds6

About methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate

methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate (PubChem CID 11609089) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
PubChem CID11609089
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namemethyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
SMILESCOC(=O)CCC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O4/c1-22-17(20)13-12-16(19)18(21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,21H,12-13H2,1H3
InChIKeyCDYCLUZMYWJJQJ-UHFFFAOYSA-N
XLogP2.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium
CID 2295241
methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate
CID 70602974
methyl 4,4-diphenyl-4-silyloxybutanoate
CID 175160957
methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
CID 110490508
acetic acid;chlorobenzene;dimethyl butanedioate
CID 174884752
2-hydroxy-2-phenylhexan-3-one
CID 3696245
(3-hydroxy-2-oxo-3,3-diphenylpropyl)-trimethylazanium
CID 3026595
methyl 5-trityloxypentanoate
CID 171841896
methyl 2-(tritylamino)acetate
CID 637611
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
methyl 3-hydroxy-5-methyl-3-phenylhexanoate
CID 54095217

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate?
The IUPAC name of methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate (CID 11609089) is methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate.
What is the SMILES notation for methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate?
The canonical SMILES for methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate is COC(=O)CCC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate?
The InChIKey is CDYCLUZMYWJJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-22-17(20)13-12-16(19)18(21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,21H,12-13H2,1H3.
What are the key properties of methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate?
methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate has a molecular weight of 298.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate is sourced from PubChem (CID 11609089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).