3-ethoxycarbonyl-5-methoxybenzoic acid

C11H12O5 — CID 15472357

IUPAC3-ethoxycarbonyl-5-methoxybenzoic acid
SMILESCCOC(=O)c1cc(OC)cc(C(=O)O)c1
InChIInChI=1S/C11H12O5/c1-3-16-11(14)8-4-7(10(12)13)5-9(6-8)15-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeySXGORICKDFCMDY-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.57
Rot. Bonds4

About 3-ethoxycarbonyl-5-methoxybenzoic acid

3-ethoxycarbonyl-5-methoxybenzoic acid (PubChem CID 15472357) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-ethoxycarbonyl-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-ethoxycarbonyl-5-methoxybenzoic acid
PubChem CID15472357
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name3-ethoxycarbonyl-5-methoxybenzoic acid
SMILESCCOC(=O)c1cc(OC)cc(C(=O)O)c1
InChIInChI=1S/C11H12O5/c1-3-16-11(14)8-4-7(10(12)13)5-9(6-8)15-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeySXGORICKDFCMDY-UHFFFAOYSA-N
XLogP1.57
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methoxy-5-(trifluoromethoxy)benzoate
CID 164894988
3-ethoxycarbonyl-5-(methoxymethyl)benzoic acid
CID 69129941
3-ethoxycarbonyl-5-(2-methylpropoxy)benzoic acid
CID 67305199
dipropyl 5-methoxybenzene-1,3-dicarboxylate
CID 20702798
3-(dimethylcarbamothioyloxy)-5-ethoxycarbonylbenzoic acid
CID 87797414
3-(bromomethyl)-5-ethoxycarbonylbenzoic acid
CID 69129934
3-chlorosulfonyl-5-ethoxycarbonylbenzoic acid
CID 87513619
ethyl 3-methoxy-5-morpholin-4-ylbenzoate
CID 69175826
3-ethoxycarbonyl-5-(4-methylphenyl)sulfonyloxybenzoic acid
CID 87357093
ethyl 3-(2-cyanoethyl)-5-methoxybenzoate
CID 134641956
6-ethoxycarbonylazulene-2-carboxylic acid
CID 90906304
3-(3-bromo-2-oxopropyl)-5-ethoxycarbonylbenzoic acid
CID 134640837

Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonyl-5-methoxybenzoic acid?
The IUPAC name of 3-ethoxycarbonyl-5-methoxybenzoic acid (CID 15472357) is 3-ethoxycarbonyl-5-methoxybenzoic acid.
What is the SMILES notation for 3-ethoxycarbonyl-5-methoxybenzoic acid?
The canonical SMILES for 3-ethoxycarbonyl-5-methoxybenzoic acid is CCOC(=O)c1cc(OC)cc(C(=O)O)c1.
What is the InChIKey of 3-ethoxycarbonyl-5-methoxybenzoic acid?
The InChIKey is SXGORICKDFCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-3-16-11(14)8-4-7(10(12)13)5-9(6-8)15-2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-ethoxycarbonyl-5-methoxybenzoic acid?
3-ethoxycarbonyl-5-methoxybenzoic acid has a molecular weight of 224.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonyl-5-methoxybenzoic acid is sourced from PubChem (CID 15472357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).