4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one

C20H18O3S — CID 10664750

IUPAC4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2C=C(/C=C\SCc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C20H18O3S/c1-22-18-9-7-16(8-10-18)19-13-17(20(21)23-19)11-12-24-14-15-5-3-2-4-6-15/h2-13,19H,14H2,1H3/b12-11-
InChIKeyUAUVWHMFHGSTNK-QXMHVHEDSA-N
MW338.43 g/mol
LogP4.67
Rot. Bonds6

About 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one

4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one (PubChem CID 10664750) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one
PubChem CID10664750
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2C=C(/C=C\SCc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C20H18O3S/c1-22-18-9-7-16(8-10-18)19-13-17(20(21)23-19)11-12-24-14-15-5-3-2-4-6-15/h2-13,19H,14H2,1H3/b12-11-
InChIKeyUAUVWHMFHGSTNK-QXMHVHEDSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one?
The IUPAC name of 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one (CID 10664750) is 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one is COc1ccc(C2C=C(/C=C\SCc3ccccc3)C(=O)O2)cc1.
What is the InChIKey of 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one?
The InChIKey is UAUVWHMFHGSTNK-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H18O3S/c1-22-18-9-7-16(8-10-18)19-13-17(20(21)23-19)11-12-24-14-15-5-3-2-4-6-15/h2-13,19H,14H2,1H3/b12-11-.
What are the key properties of 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one?
4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one has a molecular weight of 338.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-benzylsulfanylethenyl]-2-(4-methoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 10664750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).