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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).