methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate

C20H18O4 — CID 134951212

IUPACmethyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate
SMILESC=C1OC(c2ccccc2)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C20H18O4/c1-13-17(14-9-11-16(22-2)12-10-14)18(20(21)23-3)19(24-13)15-7-5-4-6-8-15/h4-12,17H,1H2,2-3H3/t17-/m1/s1
InChIKeyGHFMTDKXLGPCES-QGZVFWFLSA-N
MW322.36 g/mol
LogP3.91
Rot. Bonds4

About methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate

methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate (PubChem CID 134951212) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate
PubChem CID134951212
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Namemethyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate
SMILESC=C1OC(c2ccccc2)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C20H18O4/c1-13-17(14-9-11-16(22-2)12-10-14)18(20(21)23-3)19(24-13)15-7-5-4-6-8-15/h4-12,17H,1H2,2-3H3/t17-/m1/s1
InChIKeyGHFMTDKXLGPCES-QGZVFWFLSA-N
XLogP3.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate
CID 134842241
methyl 6-methoxy-2-phenyl-1,4-benzodioxine-3-carboxylate
CID 15372693
methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 999830
methyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 679293
anisole;methyl 4-methoxybenzoate
CID 158093995
ethyl (1S,2R)-2-(4-methoxyphenyl)-5-oxo-3,4-diphenylcyclopent-3-ene-1-carboxylate
CID 16724985
(4-methoxyphenoxy)carbamic acid
CID 152670091
(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225
(4S,5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988226
dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 9499901
(2R,3R)-2-(4-methoxyphenyl)-4-methylidene-5-oxooxolane-3-carboxylic acid
CID 102094067
ethyl (4R)-6-amino-5-cyano-4-(3,5-dimethoxyphenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 1239535

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate?
The IUPAC name of methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate (CID 134951212) is methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate.
What is the SMILES notation for methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate?
The canonical SMILES for methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate is C=C1OC(c2ccccc2)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1.
What is the InChIKey of methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate?
The InChIKey is GHFMTDKXLGPCES-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18O4/c1-13-17(14-9-11-16(22-2)12-10-14)18(20(21)23-3)19(24-13)15-7-5-4-6-8-15/h4-12,17H,1H2,2-3H3/t17-/m1/s1.
What are the key properties of methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate?
methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate is sourced from PubChem (CID 134951212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).