methyl 2-(2-fluoro-3-methylphenyl)acetate

C10H11FO2 — CID 130064946

IUPACmethyl 2-(2-fluoro-3-methylphenyl)acetate
SMILESCOC(=O)Cc1cccc(C)c1F
InChIInChI=1S/C10H11FO2/c1-7-4-3-5-8(10(7)11)6-9(12)13-2/h3-5H,6H2,1-2H3
InChIKeyPGWCMIFSRDZFFG-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.85
Rot. Bonds2

About methyl 2-(2-fluoro-3-methylphenyl)acetate

methyl 2-(2-fluoro-3-methylphenyl)acetate (PubChem CID 130064946) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is methyl 2-(2-fluoro-3-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-3-methylphenyl)acetate
PubChem CID130064946
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-(2-fluoro-3-methylphenyl)acetate
SMILESCOC(=O)Cc1cccc(C)c1F
InChIInChI=1S/C10H11FO2/c1-7-4-3-5-8(10(7)11)6-9(12)13-2/h3-5H,6H2,1-2H3
InChIKeyPGWCMIFSRDZFFG-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methyl 2-(2-methylphenyl)acetate
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methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
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1-chloro-3-(2-fluoro-3-methylphenyl)propan-2-one
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methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
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methyl 2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]acetate
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methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
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methyl 2-[2-(2-oxopropyl)phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-3-methylphenyl)acetate?
The IUPAC name of methyl 2-(2-fluoro-3-methylphenyl)acetate (CID 130064946) is methyl 2-(2-fluoro-3-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-fluoro-3-methylphenyl)acetate?
The canonical SMILES for methyl 2-(2-fluoro-3-methylphenyl)acetate is COC(=O)Cc1cccc(C)c1F.
What is the InChIKey of methyl 2-(2-fluoro-3-methylphenyl)acetate?
The InChIKey is PGWCMIFSRDZFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7-4-3-5-8(10(7)11)6-9(12)13-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(2-fluoro-3-methylphenyl)acetate?
methyl 2-(2-fluoro-3-methylphenyl)acetate has a molecular weight of 182.19 g/mol, XLogP of 1.85, 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-methylphenyl)acetate is sourced from PubChem (CID 130064946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).