4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one

C12H10O3S — CID 92528555

IUPAC4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one
SMILESCOc1cc(/C=C\c2cccs2)oc(=O)c1
InChIInChI=1S/C12H10O3S/c1-14-10-7-9(15-12(13)8-10)4-5-11-3-2-6-16-11/h2-8H,1H3/b5-4-
InChIKeyAHMATMGVWJGJGP-PLNGDYQASA-N
MW234.28 g/mol
LogP2.88
Rot. Bonds3

About 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one

4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one (PubChem CID 92528555) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one
PubChem CID92528555
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one
SMILESCOc1cc(/C=C\c2cccs2)oc(=O)c1
InChIInChI=1S/C12H10O3S/c1-14-10-7-9(15-12(13)8-10)4-5-11-3-2-6-16-11/h2-8H,1H3/b5-4-
InChIKeyAHMATMGVWJGJGP-PLNGDYQASA-N
XLogP2.88
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one (CID 92528555) is 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one is COc1cc(/C=C\c2cccs2)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one?
The InChIKey is AHMATMGVWJGJGP-PLNGDYQASA-N. The full InChI is InChI=1S/C12H10O3S/c1-14-10-7-9(15-12(13)8-10)4-5-11-3-2-6-16-11/h2-8H,1H3/b5-4-.
What are the key properties of 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one?
4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one has a molecular weight of 234.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one is sourced from PubChem (CID 92528555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).