4-ethoxy-3,5-dihydroxybenzoic acid

C9H10O5 — CID 55283148

IUPAC4-ethoxy-3,5-dihydroxybenzoic acid
SMILESCCOc1c(O)cc(C(=O)O)cc1O
InChIInChI=1S/C9H10O5/c1-2-14-8-6(10)3-5(9(12)13)4-7(8)11/h3-4,10-11H,2H2,1H3,(H,12,13)
InChIKeyFMZXLKMBFPAGDV-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.19
Rot. Bonds3

About 4-ethoxy-3,5-dihydroxybenzoic acid

4-ethoxy-3,5-dihydroxybenzoic acid (PubChem CID 55283148) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 4-ethoxy-3,5-dihydroxybenzoic acid.

Molecular Properties

Compound Name4-ethoxy-3,5-dihydroxybenzoic acid
PubChem CID55283148
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name4-ethoxy-3,5-dihydroxybenzoic acid
SMILESCCOc1c(O)cc(C(=O)O)cc1O
InChIInChI=1S/C9H10O5/c1-2-14-8-6(10)3-5(9(12)13)4-7(8)11/h3-4,10-11H,2H2,1H3,(H,12,13)
InChIKeyFMZXLKMBFPAGDV-UHFFFAOYSA-N
XLogP1.19
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3,5-diiodobenzoic acid
CID 91972425
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
3-chloro-4-ethoxy-5-fluorobenzoic acid
CID 46737656
3-hydroxy-4-methoxy-5-sulfooxybenzoic acid
CID 10825483
3-ethoxy-5-pentan-3-yloxybenzoic acid
CID 21062026
3,5-dihydroxy-4-phosphonooxybenzoic acid
CID 69225554
3,4,5-trihydroxybenzoic acid
CID 370
8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid
CID 51031692
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459
CID 173368262
CID 173368262
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
silver;3,4,5-trihydroxybenzoic acid
CID 87285421

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3,5-dihydroxybenzoic acid?
The IUPAC name of 4-ethoxy-3,5-dihydroxybenzoic acid (CID 55283148) is 4-ethoxy-3,5-dihydroxybenzoic acid.
What is the SMILES notation for 4-ethoxy-3,5-dihydroxybenzoic acid?
The canonical SMILES for 4-ethoxy-3,5-dihydroxybenzoic acid is CCOc1c(O)cc(C(=O)O)cc1O.
What is the InChIKey of 4-ethoxy-3,5-dihydroxybenzoic acid?
The InChIKey is FMZXLKMBFPAGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-2-14-8-6(10)3-5(9(12)13)4-7(8)11/h3-4,10-11H,2H2,1H3,(H,12,13).
What are the key properties of 4-ethoxy-3,5-dihydroxybenzoic acid?
4-ethoxy-3,5-dihydroxybenzoic acid has a molecular weight of 198.17 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3,5-dihydroxybenzoic acid is sourced from PubChem (CID 55283148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).