(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid

C13H12O4 — CID 3088964

IUPAC(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
SMILESO=C(O)[C@H](c1ccccc1)[C@@H](O)c1ccco1
InChIInChI=1S/C13H12O4/c14-12(10-7-4-8-17-10)11(13(15)16)9-5-2-1-3-6-9/h1-8,11-12,14H,(H,15,16)/t11-,12+/m1/s1
InChIKeyZFLMKKDXXLZURV-NEPJUHHUSA-N
MW232.24 g/mol
LogP2.18
Rot. Bonds4

About (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid

(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid (PubChem CID 3088964) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
PubChem CID3088964
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
SMILESO=C(O)[C@H](c1ccccc1)[C@@H](O)c1ccco1
InChIInChI=1S/C13H12O4/c14-12(10-7-4-8-17-10)11(13(15)16)9-5-2-1-3-6-9/h1-8,11-12,14H,(H,15,16)/t11-,12+/m1/s1
InChIKeyZFLMKKDXXLZURV-NEPJUHHUSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
CID 638407
1-(furan-2-yl)-2,2-diphenylethanol
CID 63947549
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511
2-(furan-2-yl)propanedioic acid
CID 19790856
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81400828
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
1-(furan-2-yl)-3-methyl-2-phenylpentan-1-ol
CID 115797403
4-(furan-2-yl)-4-hydroxy-3-methylbutan-2-one
CID 14223499
(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
CID 134544678
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
CID 53342756

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid?
The IUPAC name of (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid (CID 3088964) is (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid.
What is the SMILES notation for (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid?
The canonical SMILES for (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid is O=C(O)[C@H](c1ccccc1)[C@@H](O)c1ccco1.
What is the InChIKey of (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid?
The InChIKey is ZFLMKKDXXLZURV-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H12O4/c14-12(10-7-4-8-17-10)11(13(15)16)9-5-2-1-3-6-9/h1-8,11-12,14H,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid?
(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid is sourced from PubChem (CID 3088964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).