(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane

C23H27FOS — CID 144634993

IUPAC(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane
SMILESCCC.CCC1=C(C)/C(=C\c2ccc(S(C)=O)cc2)c2ccc(F)cc21
InChIInChI=1S/C20H19FOS.C3H8/c1-4-17-13(2)19(18-10-7-15(21)12-20(17)18)11-14-5-8-16(9-6-14)23(3)22;1-3-2/h5-12H,4H2,1-3H3;3H2,1-2H3/b19-11+;
InChIKeySUYWFJGFBXBZSU-YLFUTEQJSA-N
MW370.53 g/mol
LogP6.72
Rot. Bonds3

About (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane

(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane (PubChem CID 144634993) has the molecular formula C23H27FOS and a molecular weight of 370.53 g/mol. Its IUPAC name is (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane.

Molecular Properties

Compound Name(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane
PubChem CID144634993
Molecular FormulaC23H27FOS
Molecular Weight370.53 g/mol
Exact Mass370.18
IUPAC Name(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane
SMILESCCC.CCC1=C(C)/C(=C\c2ccc(S(C)=O)cc2)c2ccc(F)cc21
InChIInChI=1S/C20H19FOS.C3H8/c1-4-17-13(2)19(18-10-7-15(21)12-20(17)18)11-14-5-8-16(9-6-14)23(3)22;1-3-2/h5-12H,4H2,1-3H3;3H2,1-2H3/b19-11+;
InChIKeySUYWFJGFBXBZSU-YLFUTEQJSA-N
XLogP6.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]propan-2-one
CID 177352787
CID 174051324
CID 174051324
sodium;2-[6-fluoro-2-methyl-3-[[4-[(S)-methylsulfinyl]phenyl]methylidene]inden-1-yl]acetic acid;hydride
CID 173001656
(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene
CID 90131086
(1Z)-3-(diethoxyphosphorylmethyl)-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene
CID 59810544
trimethylsilyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate
CID 5366714
ethane;2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid;2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
CID 163443022
2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid;sulfosulfamic acid
CID 175012912
2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 71965326
N-(2-diethoxyphosphorylethyl)-2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetamide
CID 59810610
2-[(3E)-6-fluoro-2-methyl-3-[[4-[(R)-methylsulfinyl]phenyl]methylidene]inden-1-yl]-N-[(2R)-2-hydroxy-3-methoxypropyl]acetamide
CID 98215956
2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 138690924

Frequently Asked Questions

What is the IUPAC name of (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane?
The IUPAC name of (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane (CID 144634993) is (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane.
What is the SMILES notation for (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane?
The canonical SMILES for (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane is CCC.CCC1=C(C)/C(=C\c2ccc(S(C)=O)cc2)c2ccc(F)cc21.
What is the InChIKey of (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane?
The InChIKey is SUYWFJGFBXBZSU-YLFUTEQJSA-N. The full InChI is InChI=1S/C20H19FOS.C3H8/c1-4-17-13(2)19(18-10-7-15(21)12-20(17)18)11-14-5-8-16(9-6-14)23(3)22;1-3-2/h5-12H,4H2,1-3H3;3H2,1-2H3/b19-11+;.
What are the key properties of (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane?
(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane has a molecular weight of 370.53 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane is sourced from PubChem (CID 144634993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).