(5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one

C15H10O2S — CID 58369814

IUPAC(5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one
SMILESO=C1C=C(c2ccccc2)/C(=C/c2ccsc2)O1
InChIInChI=1S/C15H10O2S/c16-15-9-13(12-4-2-1-3-5-12)14(17-15)8-11-6-7-18-10-11/h1-10H/b14-8-
InChIKeySSDLECLEUPFFAD-ZSOIEALJSA-N
MW254.31 g/mol
LogP3.73
Rot. Bonds2

About (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one

(5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one (PubChem CID 58369814) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one
PubChem CID58369814
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name(5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one
SMILESO=C1C=C(c2ccccc2)/C(=C/c2ccsc2)O1
InChIInChI=1S/C15H10O2S/c16-15-9-13(12-4-2-1-3-5-12)14(17-15)8-11-6-7-18-10-11/h1-10H/b14-8-
InChIKeySSDLECLEUPFFAD-ZSOIEALJSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one?
The IUPAC name of (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one (CID 58369814) is (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one.
What is the SMILES notation for (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one?
The canonical SMILES for (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one is O=C1C=C(c2ccccc2)/C(=C/c2ccsc2)O1.
What is the InChIKey of (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one?
The InChIKey is SSDLECLEUPFFAD-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H10O2S/c16-15-9-13(12-4-2-1-3-5-12)14(17-15)8-11-6-7-18-10-11/h1-10H/b14-8-.
What are the key properties of (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one?
(5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one has a molecular weight of 254.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-phenyl-5-(thiophen-3-ylmethylidene)furan-2-one is sourced from PubChem (CID 58369814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).