4-ethoxycarbonyl-2-phenylmethoxybenzoic acid

C17H16O5 — CID 175330974

IUPAC4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
SMILESCCOC(=O)c1ccc(C(=O)O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H16O5/c1-2-21-17(20)13-8-9-14(16(18)19)15(10-13)22-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyLIGVILOZQLMWDI-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.14
Rot. Bonds6

About 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid

4-ethoxycarbonyl-2-phenylmethoxybenzoic acid (PubChem CID 175330974) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
PubChem CID175330974
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
SMILESCCOC(=O)c1ccc(C(=O)O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H16O5/c1-2-21-17(20)13-8-9-14(16(18)19)15(10-13)22-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyLIGVILOZQLMWDI-UHFFFAOYSA-N
XLogP3.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
ethyl 3,4-dihydroxybenzoate;ethyl 3-hydroxy-4-phenylmethoxybenzoate;methane
CID 158916697
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
4-(1-aminopropyl)-2-phenylmethoxybenzoic acid
CID 123417616
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid?
The IUPAC name of 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid (CID 175330974) is 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid?
The canonical SMILES for 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid is CCOC(=O)c1ccc(C(=O)O)c(OCc2ccccc2)c1.
What is the InChIKey of 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid?
The InChIKey is LIGVILOZQLMWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-2-21-17(20)13-8-9-14(16(18)19)15(10-13)22-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid?
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 175330974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).