methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate

C19H18O4 — CID 15503779

IUPACmethyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate
SMILESCOC(=O)[C@]1(/C=C/c2ccccc2)O[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H18O4/c1-21-16-10-8-15(9-11-16)17-19(23-17,18(20)22-2)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3/b13-12+/t17-,19-/m1/s1
InChIKeyGRDZXBSKJXPJRU-JXGFJBPRSA-N
MW310.35 g/mol
LogP3.39
Rot. Bonds5

About methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate

methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate (PubChem CID 15503779) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate
PubChem CID15503779
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namemethyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate
SMILESCOC(=O)[C@]1(/C=C/c2ccccc2)O[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H18O4/c1-21-16-10-8-15(9-11-16)17-19(23-17,18(20)22-2)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3/b13-12+/t17-,19-/m1/s1
InChIKeyGRDZXBSKJXPJRU-JXGFJBPRSA-N
XLogP3.39
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
ethyl (2S,3R)-3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate
CID 11264847
tetramethyl (3R,4S,5S)-5-(4-methoxyphenyl)oxolane-2,2,3,4-tetracarboxylate
CID 6554364
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
ethyl (2S,3R)-2-ethyl-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 793344
dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate
CID 122399786
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
cis-(4-methoxyphenyl) (1S,2S)-1-amino-2-phenylcyclopropane-1-carboxylate
CID 135000493
methyl (4R,5S)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10635449
methyl (4S)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 59924048
methyl (1R,1aR,6bR)-1-[(E)-2-phenylethenyl]-1a,6b-dihydrocyclopropa[b][1]benzofuran-1-carboxylate
CID 10708763

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate?
The IUPAC name of methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate (CID 15503779) is methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate.
What is the SMILES notation for methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate?
The canonical SMILES for methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate is COC(=O)[C@]1(/C=C/c2ccccc2)O[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate?
The InChIKey is GRDZXBSKJXPJRU-JXGFJBPRSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-16-10-8-15(9-11-16)17-19(23-17,18(20)22-2)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3/b13-12+/t17-,19-/m1/s1.
What are the key properties of methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate?
methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate is sourced from PubChem (CID 15503779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).