(3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one

C18H15FO4S — CID 15383977

IUPAC(3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one
SMILESCS(=O)(=O)c1ccc(/C(=C2/CCOC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FO4S/c1-24(21,22)15-8-4-13(5-9-15)17(16-10-11-23-18(16)20)12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3/b17-16-
InChIKeyOFPZHGVMDSHGNQ-MSUUIHNZSA-N
MW346.38 g/mol
LogP2.98
Rot. Bonds3

About (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one

(3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one (PubChem CID 15383977) has the molecular formula C18H15FO4S and a molecular weight of 346.38 g/mol. Its IUPAC name is (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one
PubChem CID15383977
Molecular FormulaC18H15FO4S
Molecular Weight346.38 g/mol
Exact Mass346.07
IUPAC Name(3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one
SMILESCS(=O)(=O)c1ccc(/C(=C2/CCOC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FO4S/c1-24(21,22)15-8-4-13(5-9-15)17(16-10-11-23-18(16)20)12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3/b17-16-
InChIKeyOFPZHGVMDSHGNQ-MSUUIHNZSA-N
XLogP2.98
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one?
The IUPAC name of (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one (CID 15383977) is (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one.
What is the SMILES notation for (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one?
The canonical SMILES for (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one is CS(=O)(=O)c1ccc(/C(=C2/CCOC2=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one?
The InChIKey is OFPZHGVMDSHGNQ-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H15FO4S/c1-24(21,22)15-8-4-13(5-9-15)17(16-10-11-23-18(16)20)12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3/b17-16-.
What are the key properties of (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one?
(3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one has a molecular weight of 346.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one is sourced from PubChem (CID 15383977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).