methyl 4-(phenoxymethyl)benzoate

C15H14O3 — CID 925826

IUPACmethyl 4-(phenoxymethyl)benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-17-15(16)13-9-7-12(8-10-13)11-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyXROIZJPDWNZPCB-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.05
Rot. Bonds4

About methyl 4-(phenoxymethyl)benzoate

methyl 4-(phenoxymethyl)benzoate (PubChem CID 925826) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 4-(phenoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(phenoxymethyl)benzoate
PubChem CID925826
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl 4-(phenoxymethyl)benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-17-15(16)13-9-7-12(8-10-13)11-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyXROIZJPDWNZPCB-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(phenoxymethyl)benzoate?
The IUPAC name of methyl 4-(phenoxymethyl)benzoate (CID 925826) is methyl 4-(phenoxymethyl)benzoate.
What is the SMILES notation for methyl 4-(phenoxymethyl)benzoate?
The canonical SMILES for methyl 4-(phenoxymethyl)benzoate is COC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of methyl 4-(phenoxymethyl)benzoate?
The InChIKey is XROIZJPDWNZPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-15(16)13-9-7-12(8-10-13)11-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of methyl 4-(phenoxymethyl)benzoate?
methyl 4-(phenoxymethyl)benzoate has a molecular weight of 242.27 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(phenoxymethyl)benzoate is sourced from PubChem (CID 925826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).