methyl 2-phenylmethoxypropanoate

C11H14O3 — CID 561764

IUPACmethyl 2-phenylmethoxypropanoate
SMILESCOC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(11(12)13-2)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyVYUWVGDHZQNXOP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.76
Rot. Bonds4

About methyl 2-phenylmethoxypropanoate

methyl 2-phenylmethoxypropanoate (PubChem CID 561764) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-phenylmethoxypropanoate.

Molecular Properties

Compound Namemethyl 2-phenylmethoxypropanoate
PubChem CID561764
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 2-phenylmethoxypropanoate
SMILESCOC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(11(12)13-2)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyVYUWVGDHZQNXOP-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylmethoxypropanoate?
The IUPAC name of methyl 2-phenylmethoxypropanoate (CID 561764) is methyl 2-phenylmethoxypropanoate.
What is the SMILES notation for methyl 2-phenylmethoxypropanoate?
The canonical SMILES for methyl 2-phenylmethoxypropanoate is COC(=O)C(C)OCc1ccccc1.
What is the InChIKey of methyl 2-phenylmethoxypropanoate?
The InChIKey is VYUWVGDHZQNXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-9(11(12)13-2)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of methyl 2-phenylmethoxypropanoate?
methyl 2-phenylmethoxypropanoate has a molecular weight of 194.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylmethoxypropanoate is sourced from PubChem (CID 561764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).