4-ethoxycarbonyl-2-hydroxybenzoic acid

C10H10O5 — CID 51063880

IUPAC4-ethoxycarbonyl-2-hydroxybenzoic acid
SMILESCCOC(=O)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H10O5/c1-2-15-10(14)6-3-4-7(9(12)13)8(11)5-6/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyGQUIMTXFPFKYAP-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.27
Rot. Bonds3

About 4-ethoxycarbonyl-2-hydroxybenzoic acid

4-ethoxycarbonyl-2-hydroxybenzoic acid (PubChem CID 51063880) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 4-ethoxycarbonyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-2-hydroxybenzoic acid
PubChem CID51063880
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name4-ethoxycarbonyl-2-hydroxybenzoic acid
SMILESCCOC(=O)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H10O5/c1-2-15-10(14)6-3-4-7(9(12)13)8(11)5-6/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyGQUIMTXFPFKYAP-UHFFFAOYSA-N
XLogP1.27
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-3-hydroxybenzoate
CID 12784565
diethyl benzene-1,4-dicarboxylate;2,3-diethylterephthalic acid
CID 160968833
4-ethoxycarbonylbenzene-1,3-dicarboxylic acid;hydrate
CID 174539345
sodium;4-ethoxycarbonyl-2-sulfobenzoic acid;hydride
CID 174753124
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
3,4-diaminobenzoic acid;ethyl 3,4-diaminobenzoate
CID 159294295
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038
4-ethoxycarbonyl-2-methylbenzenecarbothioic S-acid
CID 87277045
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
ethyl benzoate;phthalic acid
CID 159584831
diethyl 2-hydroperoxybenzene-1,4-dicarboxylate
CID 174358590
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-2-hydroxybenzoic acid?
The IUPAC name of 4-ethoxycarbonyl-2-hydroxybenzoic acid (CID 51063880) is 4-ethoxycarbonyl-2-hydroxybenzoic acid.
What is the SMILES notation for 4-ethoxycarbonyl-2-hydroxybenzoic acid?
The canonical SMILES for 4-ethoxycarbonyl-2-hydroxybenzoic acid is CCOC(=O)c1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-ethoxycarbonyl-2-hydroxybenzoic acid?
The InChIKey is GQUIMTXFPFKYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-2-15-10(14)6-3-4-7(9(12)13)8(11)5-6/h3-5,11H,2H2,1H3,(H,12,13).
What are the key properties of 4-ethoxycarbonyl-2-hydroxybenzoic acid?
4-ethoxycarbonyl-2-hydroxybenzoic acid has a molecular weight of 210.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-2-hydroxybenzoic acid is sourced from PubChem (CID 51063880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).