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

C20H24O5 — CID 70602974

IUPACmethoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate
SMILESCOC.COC(=O)CCC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O4.C2H6O/c1-22-16(19)12-13-18(21,15-10-6-3-7-11-15)17(20)14-8-4-2-5-9-14;1-3-2/h2-11,21H,12-13H2,1H3;1-2H3
InChIKeyNYZMIXZBCXJMET-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.97
Rot. Bonds6

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

methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate (PubChem CID 70602974) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate.

Molecular Properties

Compound Namemethoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate
PubChem CID70602974
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Namemethoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate
SMILESCOC.COC(=O)CCC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O4.C2H6O/c1-22-16(19)12-13-18(21,15-10-6-3-7-11-15)17(20)14-8-4-2-5-9-14;1-3-2/h2-11,21H,12-13H2,1H3;1-2H3
InChIKeyNYZMIXZBCXJMET-UHFFFAOYSA-N
XLogP2.97
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,4-diphenyl-4-silyloxybutanoate
CID 175160957
methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
CID 11609089
methyl 3,3-dimethyl-4-oxo-4-phenylbutanoate
CID 57437539
(2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate
CID 100918521
(2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one
CID 154714165
1-O-ethyl 5-O-methyl (2R)-2-hydroxy-2-phenacylpentanedioate
CID 102383019
(2-hydroxy-3-oxo-2,3-diphenylpropyl) methanesulfonate
CID 19776986
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
CID 70380510
methyl 5-hydroxyimino-5-phenylpentanoate
CID 85308138
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate?
The IUPAC name of methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate (CID 70602974) is methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate.
What is the SMILES notation for methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate?
The canonical SMILES for methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate is COC.COC(=O)CCC(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate?
The InChIKey is NYZMIXZBCXJMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4.C2H6O/c1-22-16(19)12-13-18(21,15-10-6-3-7-11-15)17(20)14-8-4-2-5-9-14;1-3-2/h2-11,21H,12-13H2,1H3;1-2H3.
What are the key properties of methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate?
methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate has a molecular weight of 344.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate is sourced from PubChem (CID 70602974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).