5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene

C18H15FOS — CID 54327515

IUPAC5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene
SMILESCC1=Cc2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1
InChIInChI=1S/C18H15FOS/c1-12-9-14-11-15(19)5-8-17(14)18(12)10-13-3-6-16(7-4-13)21(2)20/h3-11H,1-2H3
InChIKeyXDYQCNBJBOZUBP-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.52
Rot. Bonds2

About 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene

5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene (PubChem CID 54327515) has the molecular formula C18H15FOS and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene.

Molecular Properties

Compound Name5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene
PubChem CID54327515
Molecular FormulaC18H15FOS
Molecular Weight298.38 g/mol
Exact Mass298.08
IUPAC Name5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene
SMILESCC1=Cc2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1
InChIInChI=1S/C18H15FOS/c1-12-9-14-11-15(19)5-8-17(14)18(12)10-13-3-6-16(7-4-13)21(2)20/h3-11H,1-2H3
InChIKeyXDYQCNBJBOZUBP-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene?
The IUPAC name of 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene (CID 54327515) is 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene.
What is the SMILES notation for 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene?
The canonical SMILES for 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene is CC1=Cc2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1.
What is the InChIKey of 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene?
The InChIKey is XDYQCNBJBOZUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FOS/c1-12-9-14-11-15(19)5-8-17(14)18(12)10-13-3-6-16(7-4-13)21(2)20/h3-11H,1-2H3.
What are the key properties of 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene?
5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene has a molecular weight of 298.38 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene is sourced from PubChem (CID 54327515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).