4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid

C24H22O6 — CID 156760748

IUPAC4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
SMILESCCOC(=O)c1cc(OCc2ccccc2)c(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C24H22O6/c1-2-28-24(27)20-14-21(29-15-17-9-5-3-6-10-17)19(23(25)26)13-22(20)30-16-18-11-7-4-8-12-18/h3-14H,2,15-16H2,1H3,(H,25,26)
InChIKeyUPJJKSJMEHSWOF-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.72
Rot. Bonds9

About 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid

4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid (PubChem CID 156760748) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
PubChem CID156760748
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
SMILESCCOC(=O)c1cc(OCc2ccccc2)c(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C24H22O6/c1-2-28-24(27)20-14-21(29-15-17-9-5-3-6-10-17)19(23(25)26)13-22(20)30-16-18-11-7-4-8-12-18/h3-14H,2,15-16H2,1H3,(H,25,26)
InChIKeyUPJJKSJMEHSWOF-UHFFFAOYSA-N
XLogP4.72
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid 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

4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
diethyl 2-(8-hydroxyoctoxy)-5-phenylmethoxybenzene-1,4-dicarboxylate
CID 134215432
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
ethyl 4-[(2-amino-6-ethoxycarbonylphenyl)carbamoyl]-2,5-bis(phenylmethoxy)benzoate
CID 156852371
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 5-(8-bromooctoxy)-4-(N'-ethylcarbamimidoyl)-2-phenylmethoxybenzoate
CID 142279153
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid?
The IUPAC name of 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid (CID 156760748) is 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid.
What is the SMILES notation for 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid?
The canonical SMILES for 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid is CCOC(=O)c1cc(OCc2ccccc2)c(C(=O)O)cc1OCc1ccccc1.
What is the InChIKey of 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid?
The InChIKey is UPJJKSJMEHSWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-2-28-24(27)20-14-21(29-15-17-9-5-3-6-10-17)19(23(25)26)13-22(20)30-16-18-11-7-4-8-12-18/h3-14H,2,15-16H2,1H3,(H,25,26).
What are the key properties of 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid?
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid has a molecular weight of 406.43 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid is sourced from PubChem (CID 156760748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).