methyl 2-[3-(methoxymethyl)phenyl]acetate

C11H14O3 — CID 131730198

IUPACmethyl 2-[3-(methoxymethyl)phenyl]acetate
SMILESCOCc1cccc(CC(=O)OC)c1
InChIInChI=1S/C11H14O3/c1-13-8-10-5-3-4-9(6-10)7-11(12)14-2/h3-6H,7-8H2,1-2H3
InChIKeyFISHJWQTERNFAJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds4

About methyl 2-[3-(methoxymethyl)phenyl]acetate

methyl 2-[3-(methoxymethyl)phenyl]acetate (PubChem CID 131730198) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-[3-(methoxymethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(methoxymethyl)phenyl]acetate
PubChem CID131730198
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 2-[3-(methoxymethyl)phenyl]acetate
SMILESCOCc1cccc(CC(=O)OC)c1
InChIInChI=1S/C11H14O3/c1-13-8-10-5-3-4-9(6-10)7-11(12)14-2/h3-6H,7-8H2,1-2H3
InChIKeyFISHJWQTERNFAJ-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[3-(3,3-dimethylbutyl)phenyl]acetate
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methyl 2-[4-bromo-3-(methoxymethyl)phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(methoxymethyl)phenyl]acetate?
The IUPAC name of methyl 2-[3-(methoxymethyl)phenyl]acetate (CID 131730198) is methyl 2-[3-(methoxymethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-(methoxymethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[3-(methoxymethyl)phenyl]acetate is COCc1cccc(CC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-(methoxymethyl)phenyl]acetate?
The InChIKey is FISHJWQTERNFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-13-8-10-5-3-4-9(6-10)7-11(12)14-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[3-(methoxymethyl)phenyl]acetate?
methyl 2-[3-(methoxymethyl)phenyl]acetate has a molecular weight of 194.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(methoxymethyl)phenyl]acetate is sourced from PubChem (CID 131730198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).