methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate

C19H20O3 — CID 58174664

IUPACmethyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate
SMILESCOC(=O)C(C)[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O3/c1-14(19(21)22-2)17(15-9-5-3-6-10-15)13-18(20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3/t14?,17-/m0/s1
InChIKeyXKYFVUCBKDWYJG-JRZJBTRGSA-N
MW296.37 g/mol
LogP3.85
Rot. Bonds6

About methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate

methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate (PubChem CID 58174664) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate.

Molecular Properties

Compound Namemethyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate
PubChem CID58174664
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namemethyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate
SMILESCOC(=O)C(C)[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O3/c1-14(19(21)22-2)17(15-9-5-3-6-10-15)13-18(20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3/t14?,17-/m0/s1
InChIKeyXKYFVUCBKDWYJG-JRZJBTRGSA-N
XLogP3.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
trimethyl 4-oxo-4-phenylbutane-1,1,2-tricarboxylate
CID 122393835
methyl 2-hydrazinyl-4-oxo-4-phenylbutanoate
CID 174431465
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
ethyl 5-oxo-3,5-diphenyl-2-[[(1S)-1-phenylethyl]carbamoyl]pentanoate
CID 70677493
2-bromo-1,3,5-triphenylpentane-1,5-dione
CID 13250146
methyl (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate?
The IUPAC name of methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate (CID 58174664) is methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate.
What is the SMILES notation for methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate?
The canonical SMILES for methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate is COC(=O)C(C)[C@H](CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate?
The InChIKey is XKYFVUCBKDWYJG-JRZJBTRGSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(19(21)22-2)17(15-9-5-3-6-10-15)13-18(20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3/t14?,17-/m0/s1.
What are the key properties of methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate?
methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate has a molecular weight of 296.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate is sourced from PubChem (CID 58174664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).