ethyl 2-(phenoxymethyl)benzoate

C16H16O3 — CID 14674220

IUPACethyl 2-(phenoxymethyl)benzoate
SMILESCCOC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C16H16O3/c1-2-18-16(17)15-11-7-6-8-13(15)12-19-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3
InChIKeyMPXKFNXZIYQVJR-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-(phenoxymethyl)benzoate

ethyl 2-(phenoxymethyl)benzoate (PubChem CID 14674220) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(phenoxymethyl)benzoate
PubChem CID14674220
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Nameethyl 2-(phenoxymethyl)benzoate
SMILESCCOC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C16H16O3/c1-2-18-16(17)15-11-7-6-8-13(15)12-19-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3
InChIKeyMPXKFNXZIYQVJR-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384
ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate
CID 15212302
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
CID 7949334
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949326
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
2-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]benzoic acid
CID 154194947
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
(1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate
CID 16520775
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
2-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 63577001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenoxymethyl)benzoate?
The IUPAC name of ethyl 2-(phenoxymethyl)benzoate (CID 14674220) is ethyl 2-(phenoxymethyl)benzoate.
What is the SMILES notation for ethyl 2-(phenoxymethyl)benzoate?
The canonical SMILES for ethyl 2-(phenoxymethyl)benzoate is CCOC(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of ethyl 2-(phenoxymethyl)benzoate?
The InChIKey is MPXKFNXZIYQVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-18-16(17)15-11-7-6-8-13(15)12-19-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(phenoxymethyl)benzoate?
ethyl 2-(phenoxymethyl)benzoate has a molecular weight of 256.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 14674220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).