3-ethoxy-2-(2-hydroxypropoxy)benzoic acid

C12H16O5 — CID 60884976

IUPAC3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCC(C)O
InChIInChI=1S/C12H16O5/c1-3-16-10-6-4-5-9(12(14)15)11(10)17-7-8(2)13/h4-6,8,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyVXECKJLQEJYNFO-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.54
Rot. Bonds6

About 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid

3-ethoxy-2-(2-hydroxypropoxy)benzoic acid (PubChem CID 60884976) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid.

Molecular Properties

Compound Name3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
PubChem CID60884976
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCC(C)O
InChIInChI=1S/C12H16O5/c1-3-16-10-6-4-5-9(12(14)15)11(10)17-7-8(2)13/h4-6,8,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyVXECKJLQEJYNFO-UHFFFAOYSA-N
XLogP1.54
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-2-pentan-2-yloxybenzoic acid
CID 107890294
3-ethoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484674
2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
2-(3,3-dimethylbutoxy)-3-ethoxybenzoic acid
CID 61481125
3-ethoxy-2-(2-phenylethoxy)benzoic acid
CID 43366597
3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
CID 115942755
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
2-methoxy-3-(2-methylpropoxy)benzoic acid
CID 82161609
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2-ethoxybenzoic acid;zinc
CID 172723273
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid?
The IUPAC name of 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid (CID 60884976) is 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid.
What is the SMILES notation for 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid?
The canonical SMILES for 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid is CCOc1cccc(C(=O)O)c1OCC(C)O.
What is the InChIKey of 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid?
The InChIKey is VXECKJLQEJYNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-3-16-10-6-4-5-9(12(14)15)11(10)17-7-8(2)13/h4-6,8,13H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid?
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid has a molecular weight of 240.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(2-hydroxypropoxy)benzoic acid is sourced from PubChem (CID 60884976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).