methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate

C17H18O4 — CID 638410

IUPACmethyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@@H](CC(C)=O)c1ccco1
InChIInChI=1S/C17H18O4/c1-12(18)11-14(15-9-6-10-21-15)16(17(19)20-2)13-7-4-3-5-8-13/h3-10,14,16H,11H2,1-2H3/t14-,16-/m0/s1
InChIKeyOUAYZACEYRQHRV-HOCLYGCPSA-N
MW286.33 g/mol
LogP3.30
Rot. Bonds6

About methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate

methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate (PubChem CID 638410) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate
PubChem CID638410
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@@H](CC(C)=O)c1ccco1
InChIInChI=1S/C17H18O4/c1-12(18)11-14(15-9-6-10-21-15)16(17(19)20-2)13-7-4-3-5-8-13/h3-10,14,16H,11H2,1-2H3/t14-,16-/m0/s1
InChIKeyOUAYZACEYRQHRV-HOCLYGCPSA-N
XLogP3.30
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
CID 638407
diethyl 2-[(1S)-1-(furan-2-yl)-3-oxobutyl]propanedioate
CID 12966059
4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
CID 169488876
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
methyl 3-methyl-4-oxo-2-phenylpentanoate
CID 101419627
1,2,3-triphenylhexane-1,5-dione
CID 538859
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
methyl 3-iodo-2,3-diphenylpropanoate
CID 10451510
4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
methyl 2-(furan-2-yl)-2-methoxyacetate
CID 173192079
methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate?
The IUPAC name of methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate (CID 638410) is methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate.
What is the SMILES notation for methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate?
The canonical SMILES for methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate is COC(=O)[C@@H](c1ccccc1)[C@@H](CC(C)=O)c1ccco1.
What is the InChIKey of methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate?
The InChIKey is OUAYZACEYRQHRV-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H18O4/c1-12(18)11-14(15-9-6-10-21-15)16(17(19)20-2)13-7-4-3-5-8-13/h3-10,14,16H,11H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate?
methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate has a molecular weight of 286.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate is sourced from PubChem (CID 638410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).