[(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C15H14O5 — CID 11300294

IUPAC[(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCC1=CC(=O)O[C@H]1COC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C15H14O5/c1-10-8-15(18)20-13(10)9-19-14(17)7-4-11-2-5-12(16)6-3-11/h2-8,13,16H,9H2,1H3/b7-4+/t13-/m0/s1
InChIKeyJBNDEPHIYXTXON-LVDDQXARSA-N
MW274.27 g/mol
LogP1.82
Rot. Bonds4

About [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

[(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 11300294) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID11300294
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name[(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCC1=CC(=O)O[C@H]1COC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C15H14O5/c1-10-8-15(18)20-13(10)9-19-14(17)7-4-11-2-5-12(16)6-3-11/h2-8,13,16H,9H2,1H3/b7-4+/t13-/m0/s1
InChIKeyJBNDEPHIYXTXON-LVDDQXARSA-N
XLogP1.82
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-3-methyl-5-oxo-2H-furan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
CID 102465132
hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 134285367
[2-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]propyl] 3-(4-hydroxyphenyl)prop-2-enoate
CID 90833706
[(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 171122915
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 162887028
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
CID 101219702
(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 162892461
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 162892462
[(2S)-2,3-dihydroxypropyl] 3-(4-hydroxyphenyl)prop-2-enoate
CID 162945043
[(2R,3S,4S,5R,6R)-3,4,6-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 171125059
2-bicyclo[2.2.1]hept-5-enylmethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 162530181
[2,5-bis(4-hydroxy-3,5-dimethoxyphenyl)-4-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxolan-3-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 142740984

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 11300294) is [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is CC1=CC(=O)O[C@H]1COC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is JBNDEPHIYXTXON-LVDDQXARSA-N. The full InChI is InChI=1S/C15H14O5/c1-10-8-15(18)20-13(10)9-19-14(17)7-4-11-2-5-12(16)6-3-11/h2-8,13,16H,9H2,1H3/b7-4+/t13-/m0/s1.
What are the key properties of [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
[(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 274.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 11300294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).