methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate

C14H14O5 — CID 101100237

IUPACmethyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate
SMILESC=C1C(=O)O[C@@H](c2cccc(OC)c2)[C@@H]1C(=O)OC
InChIInChI=1S/C14H14O5/c1-8-11(14(16)18-3)12(19-13(8)15)9-5-4-6-10(7-9)17-2/h4-7,11-12H,1H2,2-3H3/t11-,12+/m1/s1
InChIKeyAHSFNWBMFILPJX-NEPJUHHUSA-N
MW262.26 g/mol
LogP1.64
Rot. Bonds3

About methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate

methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate (PubChem CID 101100237) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate
PubChem CID101100237
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Namemethyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate
SMILESC=C1C(=O)O[C@@H](c2cccc(OC)c2)[C@@H]1C(=O)OC
InChIInChI=1S/C14H14O5/c1-8-11(14(16)18-3)12(19-13(8)15)9-5-4-6-10(7-9)17-2/h4-7,11-12H,1H2,2-3H3/t11-,12+/m1/s1
InChIKeyAHSFNWBMFILPJX-NEPJUHHUSA-N
XLogP1.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-(4-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylic acid
CID 102094067
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
(2S,3S)-3-(3-methoxyphenyl)oxirane-2-carboxylic acid
CID 95212337
methyl (3S,3aS,4R,9bS)-7-methoxy-4-(4-methoxyphenyl)-2-oxo-3,3a,4,9b-tetrahydrofuro[3,2-c]chromene-3-carboxylate
CID 102289558
[3-[3-(3-methoxyphenyl)oxiran-2-yl]phenyl] acetate
CID 54059922
dimethyl (4S,5S)-3-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate
CID 155935950
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
methyl 7-(3-methoxyphenyl)-2-methylidene-5-oxo-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4057073
methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
CID 99942545
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
[(2S,3R)-3-(3-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 102325705
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate?
The IUPAC name of methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate (CID 101100237) is methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate.
What is the SMILES notation for methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate?
The canonical SMILES for methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate is C=C1C(=O)O[C@@H](c2cccc(OC)c2)[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate?
The InChIKey is AHSFNWBMFILPJX-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H14O5/c1-8-11(14(16)18-3)12(19-13(8)15)9-5-4-6-10(7-9)17-2/h4-7,11-12H,1H2,2-3H3/t11-,12+/m1/s1.
What are the key properties of methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate?
methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-(3-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylate is sourced from PubChem (CID 101100237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).