ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate

C18H18O5 — CID 46735271

IUPACethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
SMILESCCOC(=O)c1c(COC(=O)c2ccccc2)cccc1OC
InChIInChI=1S/C18H18O5/c1-3-22-18(20)16-14(10-7-11-15(16)21-2)12-23-17(19)13-8-5-4-6-9-13/h4-11H,3,12H2,1-2H3
InChIKeyWXCWPMIQAXBMRZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.23
Rot. Bonds6

About ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate

ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate (PubChem CID 46735271) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
PubChem CID46735271
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Nameethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
SMILESCCOC(=O)c1c(COC(=O)c2ccccc2)cccc1OC
InChIInChI=1S/C18H18O5/c1-3-22-18(20)16-14(10-7-11-15(16)21-2)12-23-17(19)13-8-5-4-6-9-13/h4-11H,3,12H2,1-2H3
InChIKeyWXCWPMIQAXBMRZ-UHFFFAOYSA-N
XLogP3.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
(2-hydroxy-6-methoxyphenyl)methyl benzoate
CID 127260385
CID 158970570
CID 158970570
ethyl 2-methoxy-6-pentylbenzoate
CID 15433169
(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
CID 4784820
ethyl 2-(2-cyanoethyl)-6-methoxybenzoate
CID 134641955
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
diethyl 3-[(2-methoxycarbonylbenzoyl)oxymethyl]benzene-1,2-dicarboxylate
CID 155452030
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate?
The IUPAC name of ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate (CID 46735271) is ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate.
What is the SMILES notation for ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate?
The canonical SMILES for ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate is CCOC(=O)c1c(COC(=O)c2ccccc2)cccc1OC.
What is the InChIKey of ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate?
The InChIKey is WXCWPMIQAXBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-3-22-18(20)16-14(10-7-11-15(16)21-2)12-23-17(19)13-8-5-4-6-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate?
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate has a molecular weight of 314.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate is sourced from PubChem (CID 46735271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).