methyl 4-ethenyl-2-fluoro-6-methylbenzoate

C11H11FO2 — CID 155482448

IUPACmethyl 4-ethenyl-2-fluoro-6-methylbenzoate
SMILESC=Cc1cc(C)c(C(=O)OC)c(F)c1
InChIInChI=1S/C11H11FO2/c1-4-8-5-7(2)10(9(12)6-8)11(13)14-3/h4-6H,1H2,2-3H3
InChIKeyQSOSAQBWXUWXCP-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.56
Rot. Bonds2

About methyl 4-ethenyl-2-fluoro-6-methylbenzoate

methyl 4-ethenyl-2-fluoro-6-methylbenzoate (PubChem CID 155482448) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is methyl 4-ethenyl-2-fluoro-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-ethenyl-2-fluoro-6-methylbenzoate
PubChem CID155482448
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Namemethyl 4-ethenyl-2-fluoro-6-methylbenzoate
SMILESC=Cc1cc(C)c(C(=O)OC)c(F)c1
InChIInChI=1S/C11H11FO2/c1-4-8-5-7(2)10(9(12)6-8)11(13)14-3/h4-6H,1H2,2-3H3
InChIKeyQSOSAQBWXUWXCP-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
(4-ethenyl-2,6-dimethylphenyl) methyl carbonate
CID 58892267
methyl 4-(dimethylamino)-2,6-difluorobenzoate
CID 66909134
(4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone
CID 23505035
methyl 2,3,6-trifluoro-4-hydroxybenzoate
CID 131118987
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
methyl 2-fluoro-6-formyl-4-methylbenzoate
CID 171011352
methyl 2,6-difluoro-3-methyl-4-(trifluoromethyl)benzoate
CID 154645474
methyl 4-acetamido-2,3,6-trifluorobenzoate
CID 162354663
methyl 4-bromo-3,6-difluoro-2-methylbenzoate
CID 166077596
methyl 3-ethenyl-5-ethylbenzoate
CID 118269406
methyl 2-bromo-4,6-difluorobenzoate
CID 97290200

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyl-2-fluoro-6-methylbenzoate?
The IUPAC name of methyl 4-ethenyl-2-fluoro-6-methylbenzoate (CID 155482448) is methyl 4-ethenyl-2-fluoro-6-methylbenzoate.
What is the SMILES notation for methyl 4-ethenyl-2-fluoro-6-methylbenzoate?
The canonical SMILES for methyl 4-ethenyl-2-fluoro-6-methylbenzoate is C=Cc1cc(C)c(C(=O)OC)c(F)c1.
What is the InChIKey of methyl 4-ethenyl-2-fluoro-6-methylbenzoate?
The InChIKey is QSOSAQBWXUWXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-4-8-5-7(2)10(9(12)6-8)11(13)14-3/h4-6H,1H2,2-3H3.
What are the key properties of methyl 4-ethenyl-2-fluoro-6-methylbenzoate?
methyl 4-ethenyl-2-fluoro-6-methylbenzoate has a molecular weight of 194.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyl-2-fluoro-6-methylbenzoate is sourced from PubChem (CID 155482448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).