3-ethoxy-2-hydroxybenzoic acid

C9H10O4 — CID 13026922

IUPAC3-ethoxy-2-hydroxybenzoic acid
SMILESCCOc1cccc(C(=O)O)c1O
InChIInChI=1S/C9H10O4/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyPKYUNJWBVAXPMG-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.49
Rot. Bonds3

About 3-ethoxy-2-hydroxybenzoic acid

3-ethoxy-2-hydroxybenzoic acid (PubChem CID 13026922) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-ethoxy-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-ethoxy-2-hydroxybenzoic acid
PubChem CID13026922
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name3-ethoxy-2-hydroxybenzoic acid
SMILESCCOc1cccc(C(=O)O)c1O
InChIInChI=1S/C9H10O4/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyPKYUNJWBVAXPMG-UHFFFAOYSA-N
XLogP1.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
2-ethoxybenzoic acid;zinc
CID 172723273
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-hydroxy-3-(propylcarbamoyloxymethoxy)benzoic acid
CID 67797532
2-hydroxy-3-phosphanyloxybenzoic acid
CID 58402798
2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 67418019
3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid
CID 150759629
2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659398
2-(2-ethoxyanilino)benzoic acid
CID 726510
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
2-ethoxy-6-methylphenol
CID 14911944
3-ethoxy-2-fluorobenzoate
CID 86306838

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-hydroxybenzoic acid?
The IUPAC name of 3-ethoxy-2-hydroxybenzoic acid (CID 13026922) is 3-ethoxy-2-hydroxybenzoic acid.
What is the SMILES notation for 3-ethoxy-2-hydroxybenzoic acid?
The canonical SMILES for 3-ethoxy-2-hydroxybenzoic acid is CCOc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-ethoxy-2-hydroxybenzoic acid?
The InChIKey is PKYUNJWBVAXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5,10H,2H2,1H3,(H,11,12).
What are the key properties of 3-ethoxy-2-hydroxybenzoic acid?
3-ethoxy-2-hydroxybenzoic acid has a molecular weight of 182.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-hydroxybenzoic acid is sourced from PubChem (CID 13026922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).