ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate

C19H18O5 — CID 11110194

IUPACethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)c2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C19H18O5/c1-3-23-18(21)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(22)24-4-2/h5-12H,3-4H2,1-2H3
InChIKeyFEDHHDIXLPGIMX-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.27
Rot. Bonds6

About ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate

ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate (PubChem CID 11110194) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
PubChem CID11110194
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Nameethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)c2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C19H18O5/c1-3-23-18(21)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(22)24-4-2/h5-12H,3-4H2,1-2H3
InChIKeyFEDHHDIXLPGIMX-UHFFFAOYSA-N
XLogP3.27
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate 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

ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 4-(4-cyanobenzoyl)benzoate
CID 11471481
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
(4-ethoxycarbonylphenyl)-λ2-stannane
CID 173440121
ethyl 4-(2,2-dichloroacetyl)benzoate
CID 146010317
butane;ethyl 4-aminobenzoate
CID 67389405
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
[amino-(4-ethoxycarbonylphenyl)methylidene]azanium chloride
CID 67790291
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate?
The IUPAC name of ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate (CID 11110194) is ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate.
What is the SMILES notation for ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate?
The canonical SMILES for ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate is CCOC(=O)c1ccc(C(=O)c2ccc(C(=O)OCC)cc2)cc1.
What is the InChIKey of ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate?
The InChIKey is FEDHHDIXLPGIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-3-23-18(21)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(22)24-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate?
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate has a molecular weight of 326.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate is sourced from PubChem (CID 11110194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).