methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate

C11H13FO2 — CID 130870256

IUPACmethyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
SMILESCOC(=O)Cc1c(C)ccc(C)c1F
InChIInChI=1S/C11H13FO2/c1-7-4-5-8(2)11(12)9(7)6-10(13)14-3/h4-5H,6H2,1-3H3
InChIKeyQZWGNJXTCLNBFC-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.16
Rot. Bonds2

About methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate

methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate (PubChem CID 130870256) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
PubChem CID130870256
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Namemethyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
SMILESCOC(=O)Cc1c(C)ccc(C)c1F
InChIInChI=1S/C11H13FO2/c1-7-4-5-8(2)11(12)9(7)6-10(13)14-3/h4-5H,6H2,1-3H3
InChIKeyQZWGNJXTCLNBFC-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-bromo-2,6-dimethylphenyl)acetate
CID 67498507
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate
CID 171015076
methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate
CID 171011025
methyl 2-[2-(chloromethyl)-6-methoxy-3-methylphenyl]acetate
CID 171023020
methyl 2-(3-fluoro-4-methyl-2-nitrophenyl)acetate
CID 171030409
methyl 2-[6-(bromomethyl)-2,3-dimethylphenyl]acetate
CID 171017935
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
CID 131455080
methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate
CID 129318972
methyl 2-(3-bromo-2-fluoro-6-hydroxyphenyl)acetate
CID 131117804
methyl 2-[2-(chloromethyl)-3,6-difluorophenyl]acetate
CID 171019323

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate?
The IUPAC name of methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate (CID 130870256) is methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate?
The canonical SMILES for methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate is COC(=O)Cc1c(C)ccc(C)c1F.
What is the InChIKey of methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate?
The InChIKey is QZWGNJXTCLNBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7-4-5-8(2)11(12)9(7)6-10(13)14-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate?
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate has a molecular weight of 196.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate is sourced from PubChem (CID 130870256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).