methyl 2-(2-benzylphenoxy)acetate

C16H16O3 — CID 43237517

IUPACmethyl 2-(2-benzylphenoxy)acetate
SMILESCOC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H16O3/c1-18-16(17)12-19-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyBDYDCSIWBCGKBV-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.83
Rot. Bonds5

About methyl 2-(2-benzylphenoxy)acetate

methyl 2-(2-benzylphenoxy)acetate (PubChem CID 43237517) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-(2-benzylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-benzylphenoxy)acetate
PubChem CID43237517
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-(2-benzylphenoxy)acetate
SMILESCOC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H16O3/c1-18-16(17)12-19-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyBDYDCSIWBCGKBV-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-(2-benzylphenoxy)-N-methylsulfonylacetamide
CID 134106534
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856155
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856156
methyl (2S)-2-[[2-(2-benzylphenoxy)acetyl]amino]-3-methylbutanoate
CID 55943159
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
2-[[2-(2-benzylphenoxy)acetyl]-methylamino]acetamide
CID 56813072

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-benzylphenoxy)acetate?
The IUPAC name of methyl 2-(2-benzylphenoxy)acetate (CID 43237517) is methyl 2-(2-benzylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2-benzylphenoxy)acetate?
The canonical SMILES for methyl 2-(2-benzylphenoxy)acetate is COC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of methyl 2-(2-benzylphenoxy)acetate?
The InChIKey is BDYDCSIWBCGKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-16(17)12-19-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-(2-benzylphenoxy)acetate?
methyl 2-(2-benzylphenoxy)acetate has a molecular weight of 256.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-benzylphenoxy)acetate is sourced from PubChem (CID 43237517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).