methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate

C14H14O4 — CID 638407

IUPACmethyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@@H](O)c1ccco1
InChIInChI=1S/C14H14O4/c1-17-14(16)12(10-6-3-2-4-7-10)13(15)11-8-5-9-18-11/h2-9,12-13,15H,1H3/t12-,13-/m0/s1
InChIKeyQMCRQTBBRJHOLJ-STQMWFEESA-N
MW246.26 g/mol
LogP2.27
Rot. Bonds4

About methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate

methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate (PubChem CID 638407) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
PubChem CID638407
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namemethyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@@H](O)c1ccco1
InChIInChI=1S/C14H14O4/c1-17-14(16)12(10-6-3-2-4-7-10)13(15)11-8-5-9-18-11/h2-9,12-13,15H,1H3/t12-,13-/m0/s1
InChIKeyQMCRQTBBRJHOLJ-STQMWFEESA-N
XLogP2.27
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
CID 3088964
methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate
CID 638410
methyl (2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylpropanoate
CID 72545735
ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
CID 53342756
1-(furan-2-yl)-2,2-diphenylethanol
CID 63947549
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
methyl 2-(furan-2-yl)-2-methoxyacetate
CID 173192079
methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
methyl 3-iodo-2,3-diphenylpropanoate
CID 10451510
methyl 3-methyl-4-oxo-2-phenylpentanoate
CID 101419627
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81400828

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate?
The IUPAC name of methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate (CID 638407) is methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate.
What is the SMILES notation for methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate?
The canonical SMILES for methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate is COC(=O)[C@@H](c1ccccc1)[C@@H](O)c1ccco1.
What is the InChIKey of methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate?
The InChIKey is QMCRQTBBRJHOLJ-STQMWFEESA-N. The full InChI is InChI=1S/C14H14O4/c1-17-14(16)12(10-6-3-2-4-7-10)13(15)11-8-5-9-18-11/h2-9,12-13,15H,1H3/t12-,13-/m0/s1.
What are the key properties of methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate?
methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate has a molecular weight of 246.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 638407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).