2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol

C16H25FO — CID 171786078

IUPAC2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol
SMILESC=Cc1ccc(F)c(C)c1/C(C)=C\C.CC.CO
InChIInChI=1S/C13H15F.C2H6.CH4O/c1-5-9(3)13-10(4)12(14)8-7-11(13)6-2;2*1-2/h5-8H,2H2,1,3-4H3;1-2H3;2H,1H3/b9-5-;;
InChIKeyODOKIAPTHDPSPQ-XDYVNXDCSA-N
MW252.37 g/mol
LogP4.84
Rot. Bonds2

About 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol

2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol (PubChem CID 171786078) has the molecular formula C16H25FO and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol
PubChem CID171786078
Molecular FormulaC16H25FO
Molecular Weight252.37 g/mol
Exact Mass252.19
IUPAC Name2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol
SMILESC=Cc1ccc(F)c(C)c1/C(C)=C\C.CC.CO
InChIInChI=1S/C13H15F.C2H6.CH4O/c1-5-9(3)13-10(4)12(14)8-7-11(13)6-2;2*1-2/h5-8H,2H2,1,3-4H3;1-2H3;2H,1H3/b9-5-;;
InChIKeyODOKIAPTHDPSPQ-XDYVNXDCSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol (CID 171786078) is 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol is C=Cc1ccc(F)c(C)c1/C(C)=C\C.CC.CO.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol?
The InChIKey is ODOKIAPTHDPSPQ-XDYVNXDCSA-N. The full InChI is InChI=1S/C13H15F.C2H6.CH4O/c1-5-9(3)13-10(4)12(14)8-7-11(13)6-2;2*1-2/h5-8H,2H2,1,3-4H3;1-2H3;2H,1H3/b9-5-;;.
What are the key properties of 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol?
2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol has a molecular weight of 252.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol is sourced from PubChem (CID 171786078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).