4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene

C12H15FO — CID 154824759

IUPAC4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene
SMILESC=Cc1ccc(OCC(C)C)c(F)c1
InChIInChI=1S/C12H15FO/c1-4-10-5-6-12(11(13)7-10)14-8-9(2)3/h4-7,9H,1,8H2,2-3H3
InChIKeyCJUGNQHWAXCGOP-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.50
Rot. Bonds4

About 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene

4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene (PubChem CID 154824759) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene
PubChem CID154824759
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene
SMILESC=Cc1ccc(OCC(C)C)c(F)c1
InChIInChI=1S/C12H15FO/c1-4-10-5-6-12(11(13)7-10)14-8-9(2)3/h4-7,9H,1,8H2,2-3H3
InChIKeyCJUGNQHWAXCGOP-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809365
1-fluoro-2-(2-methylpropoxy)-4-prop-2-enylbenzene
CID 91658243
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
4-(4-ethenylphenyl)-2-fluoro-1-methoxybenzene
CID 25270619
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 141455426
2-fluoro-4-(isocyanatomethyl)-1-(2-methylpropoxy)benzene
CID 166666897
1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776
4-ethenyl-2-fluoro-1-methylbenzene
CID 20708999
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
CID 114200314
4-ethenyl-2-ethoxy-1-propan-2-yloxybenzene
CID 118269443

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene?
The IUPAC name of 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene (CID 154824759) is 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene.
What is the SMILES notation for 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene?
The canonical SMILES for 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene is C=Cc1ccc(OCC(C)C)c(F)c1.
What is the InChIKey of 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene?
The InChIKey is CJUGNQHWAXCGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-4-10-5-6-12(11(13)7-10)14-8-9(2)3/h4-7,9H,1,8H2,2-3H3.
What are the key properties of 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene?
4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene has a molecular weight of 194.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene is sourced from PubChem (CID 154824759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).