1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene

C16H15FO2S — CID 54021314

IUPAC1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene
SMILESCC(=Cc1ccc(F)c(Oc2ccccc2)c1)S(C)=O
InChIInChI=1S/C16H15FO2S/c1-12(20(2)18)10-13-8-9-15(17)16(11-13)19-14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyKZCNQLBVPNJNMI-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.36
Rot. Bonds4

About 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene

1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene (PubChem CID 54021314) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene
PubChem CID54021314
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene
SMILESCC(=Cc1ccc(F)c(Oc2ccccc2)c1)S(C)=O
InChIInChI=1S/C16H15FO2S/c1-12(20(2)18)10-13-8-9-15(17)16(11-13)19-14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyKZCNQLBVPNJNMI-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E)-3-(4-fluoro-3-phenoxyphenyl)prop-2-enoate
CID 19849257
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776
bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
4-(3-chloroprop-1-enyl)-1-fluoro-2-phenoxybenzene;1-(4-fluoro-3-phenoxyphenyl)prop-2-en-1-ol
CID 67905375
3-(4-fluoro-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 123625955
1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene
CID 54558564
1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea
CID 88682157
N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 138455349
2-ethoxy-1,3-difluoro-5-[(2E,4Z)-1,1,1-trifluoro-5-(4-fluoro-3-phenoxyphenyl)penta-2,4-dien-2-yl]benzene
CID 88518432
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene?
The IUPAC name of 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene (CID 54021314) is 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene.
What is the SMILES notation for 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene?
The canonical SMILES for 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene is CC(=Cc1ccc(F)c(Oc2ccccc2)c1)S(C)=O.
What is the InChIKey of 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene?
The InChIKey is KZCNQLBVPNJNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-12(20(2)18)10-13-8-9-15(17)16(11-13)19-14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene?
1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene has a molecular weight of 290.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene is sourced from PubChem (CID 54021314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).