(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one

C20H14O2S — CID 2101188

IUPAC(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C\c2cccs2)[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H14O2S/c21-19-16-10-4-5-11-18(16)22-20(14-7-2-1-3-8-14)17(19)13-15-9-6-12-23-15/h1-13,20H/b17-13+/t20-/m1/s1
InChIKeySOZDMJDHJAWHMK-XMJIKXADSA-N
MW318.40 g/mol
LogP5.15
Rot. Bonds2

About (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one

(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one (PubChem CID 2101188) has the molecular formula C20H14O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one.

Molecular Properties

Compound Name(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one
PubChem CID2101188
Molecular FormulaC20H14O2S
Molecular Weight318.40 g/mol
Exact Mass318.07
IUPAC Name(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C\c2cccs2)[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H14O2S/c21-19-16-10-4-5-11-18(16)22-20(14-7-2-1-3-8-14)17(19)13-15-9-6-12-23-15/h1-13,20H/b17-13+/t20-/m1/s1
InChIKeySOZDMJDHJAWHMK-XMJIKXADSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one?
The IUPAC name of (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one (CID 2101188) is (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one.
What is the SMILES notation for (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one?
The canonical SMILES for (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one is O=C1/C(=C\c2cccs2)[C@@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one?
The InChIKey is SOZDMJDHJAWHMK-XMJIKXADSA-N. The full InChI is InChI=1S/C20H14O2S/c21-19-16-10-4-5-11-18(16)22-20(14-7-2-1-3-8-14)17(19)13-15-9-6-12-23-15/h1-13,20H/b17-13+/t20-/m1/s1.
What are the key properties of (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one?
(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one has a molecular weight of 318.40 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one is sourced from PubChem (CID 2101188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).