(1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene

C19H17FOS — CID 59809985

IUPAC(1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene
SMILESCC1=C(C)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1
InChIInChI=1S/C19H17FOS/c1-12-13(2)19-11-15(20)6-9-17(19)18(12)10-14-4-7-16(8-5-14)22(3)21/h4-11H,1-3H3/b18-10-
InChIKeyADQLMHCPKQESKX-ZDLGFXPLSA-N
MW312.41 g/mol
LogP4.91
Rot. Bonds2

About (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene

(1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene (PubChem CID 59809985) has the molecular formula C19H17FOS and a molecular weight of 312.41 g/mol. Its IUPAC name is (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene.

Molecular Properties

Compound Name(1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene
PubChem CID59809985
Molecular FormulaC19H17FOS
Molecular Weight312.41 g/mol
Exact Mass312.10
IUPAC Name(1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene
SMILESCC1=C(C)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1
InChIInChI=1S/C19H17FOS/c1-12-13(2)19-11-15(20)6-9-17(19)18(12)10-14-4-7-16(8-5-14)22(3)21/h4-11H,1-3H3/b18-10-
InChIKeyADQLMHCPKQESKX-ZDLGFXPLSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.91
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 (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene?
The IUPAC name of (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene (CID 59809985) is (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene.
What is the SMILES notation for (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene?
The canonical SMILES for (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene is CC1=C(C)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1.
What is the InChIKey of (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene?
The InChIKey is ADQLMHCPKQESKX-ZDLGFXPLSA-N. The full InChI is InChI=1S/C19H17FOS/c1-12-13(2)19-11-15(20)6-9-17(19)18(12)10-14-4-7-16(8-5-14)22(3)21/h4-11H,1-3H3/b18-10-.
What are the key properties of (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene?
(1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene has a molecular weight of 312.41 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-fluoro-2,3-dimethyl-1-[(4-methylsulfinylphenyl)methylidene]indene is sourced from PubChem (CID 59809985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).