2-methoxyethyl 4-benzoyloxybenzoate

C17H16O5 — CID 17162027

IUPAC2-methoxyethyl 4-benzoyloxybenzoate
SMILESCOCCOC(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O5/c1-20-11-12-21-16(18)14-7-9-15(10-8-14)22-17(19)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyMPCUYXAHDLQWOK-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.71
Rot. Bonds6

About 2-methoxyethyl 4-benzoyloxybenzoate

2-methoxyethyl 4-benzoyloxybenzoate (PubChem CID 17162027) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-methoxyethyl 4-benzoyloxybenzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-benzoyloxybenzoate
PubChem CID17162027
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-methoxyethyl 4-benzoyloxybenzoate
SMILESCOCCOC(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O5/c1-20-11-12-21-16(18)14-7-9-15(10-8-14)22-17(19)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyMPCUYXAHDLQWOK-UHFFFAOYSA-N
XLogP2.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
CID 17151540
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
azane;2-methoxyethyl benzoate
CID 174560204
[4-[4-(4-benzoyloxybutoxy)benzoyl]oxyphenyl] 4-(6-benzoyloxyhexoxy)benzoate
CID 67688092
[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
CID 58090360
[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17160391
[4-(2-methoxyethoxycarbonyl)phenyl] 3-(2-methylpropoxy)benzoate
CID 17162124
decyl 4-(4-benzoyloxyphenyl)benzoate
CID 102207289
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-(2-phenylethoxycarbonyl)phenyl] 3-bromo-4-(2-methoxyethoxy)benzoate
CID 17143186
2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
CID 142376943
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-benzoyloxybenzoate?
The IUPAC name of 2-methoxyethyl 4-benzoyloxybenzoate (CID 17162027) is 2-methoxyethyl 4-benzoyloxybenzoate.
What is the SMILES notation for 2-methoxyethyl 4-benzoyloxybenzoate?
The canonical SMILES for 2-methoxyethyl 4-benzoyloxybenzoate is COCCOC(=O)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-methoxyethyl 4-benzoyloxybenzoate?
The InChIKey is MPCUYXAHDLQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-20-11-12-21-16(18)14-7-9-15(10-8-14)22-17(19)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of 2-methoxyethyl 4-benzoyloxybenzoate?
2-methoxyethyl 4-benzoyloxybenzoate has a molecular weight of 300.31 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-benzoyloxybenzoate is sourced from PubChem (CID 17162027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).