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

C15H10O2S — CID 2251647

IUPAC(3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C/c1cccs1
InChIInChI=1S/C15H10O2S/c16-15-12(9-13-7-4-8-18-13)10-14(17-15)11-5-2-1-3-6-11/h1-10H/b12-9-
InChIKeyDHSHIGJDJUERHQ-XFXZXTDPSA-N
MW254.31 g/mol
LogP3.73
Rot. Bonds2

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

(3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one (PubChem CID 2251647) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is (3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one
PubChem CID2251647
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name(3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C/c1cccs1
InChIInChI=1S/C15H10O2S/c16-15-12(9-13-7-4-8-18-13)10-14(17-15)11-5-2-1-3-6-11/h1-10H/b12-9-
InChIKeyDHSHIGJDJUERHQ-XFXZXTDPSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one?
The IUPAC name of (3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one (CID 2251647) is (3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one.
What is the SMILES notation for (3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one?
The canonical SMILES for (3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one is O=C1OC(c2ccccc2)=C/C1=C/c1cccs1.
What is the InChIKey of (3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one?
The InChIKey is DHSHIGJDJUERHQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H10O2S/c16-15-12(9-13-7-4-8-18-13)10-14(17-15)11-5-2-1-3-6-11/h1-10H/b12-9-.
What are the key properties of (3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one?
(3Z)-5-phenyl-3-(thiophen-2-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 (3Z)-5-phenyl-3-(thiophen-2-ylmethylidene)furan-2-one is sourced from PubChem (CID 2251647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).