methyl 2-phenylmethoxyacetate

C10H12O3 — CID 11745225

IUPACmethyl 2-phenylmethoxyacetate
SMILESCOC(=O)COCc1ccccc1
InChIInChI=1S/C10H12O3/c1-12-10(11)8-13-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyQNEIZSSWCVSZOS-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-phenylmethoxyacetate

methyl 2-phenylmethoxyacetate (PubChem CID 11745225) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 2-phenylmethoxyacetate.

Molecular Properties

Compound Namemethyl 2-phenylmethoxyacetate
PubChem CID11745225
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 2-phenylmethoxyacetate
SMILESCOC(=O)COCc1ccccc1
InChIInChI=1S/C10H12O3/c1-12-10(11)8-13-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyQNEIZSSWCVSZOS-UHFFFAOYSA-N
XLogP1.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylmethoxyacetate?
The IUPAC name of methyl 2-phenylmethoxyacetate (CID 11745225) is methyl 2-phenylmethoxyacetate.
What is the SMILES notation for methyl 2-phenylmethoxyacetate?
The canonical SMILES for methyl 2-phenylmethoxyacetate is COC(=O)COCc1ccccc1.
What is the InChIKey of methyl 2-phenylmethoxyacetate?
The InChIKey is QNEIZSSWCVSZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-12-10(11)8-13-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of methyl 2-phenylmethoxyacetate?
methyl 2-phenylmethoxyacetate has a molecular weight of 180.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylmethoxyacetate is sourced from PubChem (CID 11745225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).