methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate

C14H12O6 — CID 154200263

IUPACmethyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate
SMILESCOC(=O)C(O)(Oc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C14H12O6/c1-18-13(16)14(17,20-11-8-5-9-19-11)12(15)10-6-3-2-4-7-10/h2-9,17H,1H3
InChIKeyZQSADYQRLACKAU-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.40
Rot. Bonds5

About methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate

methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate (PubChem CID 154200263) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate
PubChem CID154200263
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Namemethyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate
SMILESCOC(=O)C(O)(Oc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C14H12O6/c1-18-13(16)14(17,20-11-8-5-9-19-11)12(15)10-6-3-2-4-7-10/h2-9,17H,1H3
InChIKeyZQSADYQRLACKAU-UHFFFAOYSA-N
XLogP1.40
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
CID 70380510
methyl 2-benzoyl-2-hydroxy-3-oxobutanoate
CID 59771887
methyl 2-benzoyl-2-dimethoxyphosphoryl-3-oxo-3-phenylpropanoate
CID 12938764
methyl 2-benzoyl-2-fluorobutanoate
CID 169171309
dimethyl 2-[amino(benzoyl)amino]-2-hydroxypropanedioate
CID 22213779
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
2-hydroxy-3-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 19878470
methyl 2-hydroxy-2-phenoxypropanoate
CID 67592988
methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate
CID 10542314
methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
CID 101185727
(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate
CID 2423576

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate?
The IUPAC name of methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate (CID 154200263) is methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate.
What is the SMILES notation for methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate?
The canonical SMILES for methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate is COC(=O)C(O)(Oc1ccco1)C(=O)c1ccccc1.
What is the InChIKey of methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate?
The InChIKey is ZQSADYQRLACKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-18-13(16)14(17,20-11-8-5-9-19-11)12(15)10-6-3-2-4-7-10/h2-9,17H,1H3.
What are the key properties of methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate?
methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate has a molecular weight of 276.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate is sourced from PubChem (CID 154200263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).