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

C17H14O3S — CID 134842241

IUPACmethyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate
SMILESC=C1OC(c2cccs2)=C(C(=O)OC)[C@H]1c1ccccc1
InChIInChI=1S/C17H14O3S/c1-11-14(12-7-4-3-5-8-12)15(17(18)19-2)16(20-11)13-9-6-10-21-13/h3-10,14H,1H2,2H3/t14-/m1/s1
InChIKeyUTSOOEMFIVNRAU-CQSZACIVSA-N
MW298.36 g/mol
LogP3.96
Rot. Bonds3

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

methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate (PubChem CID 134842241) has the molecular formula C17H14O3S and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate
PubChem CID134842241
Molecular FormulaC17H14O3S
Molecular Weight298.36 g/mol
Exact Mass298.07
IUPAC Namemethyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate
SMILESC=C1OC(c2cccs2)=C(C(=O)OC)[C@H]1c1ccccc1
InChIInChI=1S/C17H14O3S/c1-11-14(12-7-4-3-5-8-12)15(17(18)19-2)16(20-11)13-9-6-10-21-13/h3-10,14H,1H2,2H3/t14-/m1/s1
InChIKeyUTSOOEMFIVNRAU-CQSZACIVSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate
CID 134951212
methyl (4S)-6-methyl-4-phenyl-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate
CID 124561522
methyl (4R,7S)-2-amino-5-oxo-7-phenyl-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 92848482
methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate
CID 122400270
dimethyl 2,6-dimethyl-4-(5-thiophen-2-ylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrate
CID 51057606
methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate
CID 56626852
ethyl 6-methyl-2-thiophen-2-yl-4H-pyran-3-carboxylate
CID 141394184
(4R)-5-methoxycarbonyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 15004146
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
CID 11098312
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate?
The IUPAC name of methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate (CID 134842241) is methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate.
What is the SMILES notation for methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate?
The canonical SMILES for methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate is C=C1OC(c2cccs2)=C(C(=O)OC)[C@H]1c1ccccc1.
What is the InChIKey of methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate?
The InChIKey is UTSOOEMFIVNRAU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14O3S/c1-11-14(12-7-4-3-5-8-12)15(17(18)19-2)16(20-11)13-9-6-10-21-13/h3-10,14H,1H2,2H3/t14-/m1/s1.
What are the key properties of methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate?
methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate is sourced from PubChem (CID 134842241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).