2-methoxyethoxymethyl benzoate

C11H14O4 — CID 11275823

IUPAC2-methoxyethoxymethyl benzoate
SMILESCOCCOCOC(=O)c1ccccc1
InChIInChI=1S/C11H14O4/c1-13-7-8-14-9-15-11(12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyHFYOCIQOCSXPKH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.46
Rot. Bonds6

About 2-methoxyethoxymethyl benzoate

2-methoxyethoxymethyl benzoate (PubChem CID 11275823) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methoxyethoxymethyl benzoate.

Molecular Properties

Compound Name2-methoxyethoxymethyl benzoate
PubChem CID11275823
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-methoxyethoxymethyl benzoate
SMILESCOCCOCOC(=O)c1ccccc1
InChIInChI=1S/C11H14O4/c1-13-7-8-14-9-15-11(12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyHFYOCIQOCSXPKH-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;2-methoxyethyl benzoate
CID 174560204
pentoxymethyl benzoate
CID 67613066
2-methoxyethoxymethyl 4-ethenylbenzoate
CID 138732599
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
(2-chloro-2-oxoethoxy)methyl benzoate
CID 58860176
2,2-bis(2-methoxyethoxy)ethyl benzoate
CID 10236485
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
CID 14483657
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate
CID 146469280
3-oxobutyl benzoate
CID 10899468
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
2-(aminomethoxy)ethyl benzoate
CID 89228347

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethoxymethyl benzoate?
The IUPAC name of 2-methoxyethoxymethyl benzoate (CID 11275823) is 2-methoxyethoxymethyl benzoate.
What is the SMILES notation for 2-methoxyethoxymethyl benzoate?
The canonical SMILES for 2-methoxyethoxymethyl benzoate is COCCOCOC(=O)c1ccccc1.
What is the InChIKey of 2-methoxyethoxymethyl benzoate?
The InChIKey is HFYOCIQOCSXPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-13-7-8-14-9-15-11(12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-methoxyethoxymethyl benzoate?
2-methoxyethoxymethyl benzoate has a molecular weight of 210.23 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethoxymethyl benzoate is sourced from PubChem (CID 11275823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).