1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate

C18H18O5 — CID 91719915

IUPAC1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccccc1C(=O)OCc1ccccc1OC
InChIInChI=1S/C18H18O5/c1-3-22-17(19)14-9-5-6-10-15(14)18(20)23-12-13-8-4-7-11-16(13)21-2/h4-11H,3,12H2,1-2H3
InChIKeyNQUUDDAQKDUNDZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.23
Rot. Bonds6

About 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate

1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate (PubChem CID 91719915) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
PubChem CID91719915
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccccc1C(=O)OCc1ccccc1OC
InChIInChI=1S/C18H18O5/c1-3-22-17(19)14-9-5-6-10-15(14)18(20)23-12-13-8-4-7-11-16(13)21-2/h4-11H,3,12H2,1-2H3
InChIKeyNQUUDDAQKDUNDZ-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

Analyze 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 3-[(2-methoxycarbonylbenzoyl)oxymethyl]benzene-1,2-dicarboxylate
CID 155452030
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate
CID 143501790
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366
ethyl 1-[(2-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylate
CID 90379206
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate?
The IUPAC name of 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate (CID 91719915) is 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate is CCOC(=O)c1ccccc1C(=O)OCc1ccccc1OC.
What is the InChIKey of 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate?
The InChIKey is NQUUDDAQKDUNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-3-22-17(19)14-9-5-6-10-15(14)18(20)23-12-13-8-4-7-11-16(13)21-2/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate?
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate 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 1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate is sourced from PubChem (CID 91719915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).