2-cyano-4-ethyl-3-hydroxybenzoic acid

C10H9NO3 — CID 131073078

IUPAC2-cyano-4-ethyl-3-hydroxybenzoic acid
SMILESCCc1ccc(C(=O)O)c(C#N)c1O
InChIInChI=1S/C10H9NO3/c1-2-6-3-4-7(10(13)14)8(5-11)9(6)12/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeySBMMJRGDIDGTMA-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.52
Rot. Bonds2

About 2-cyano-4-ethyl-3-hydroxybenzoic acid

2-cyano-4-ethyl-3-hydroxybenzoic acid (PubChem CID 131073078) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-cyano-4-ethyl-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-cyano-4-ethyl-3-hydroxybenzoic acid
PubChem CID131073078
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-cyano-4-ethyl-3-hydroxybenzoic acid
SMILESCCc1ccc(C(=O)O)c(C#N)c1O
InChIInChI=1S/C10H9NO3/c1-2-6-3-4-7(10(13)14)8(5-11)9(6)12/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeySBMMJRGDIDGTMA-UHFFFAOYSA-N
XLogP1.52
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-4-ethyl-3-(hydroxymethyl)benzoic acid
CID 131315299
2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid
CID 131527125
3-cyano-4-ethyl-2-methoxybenzoic acid
CID 131530272
4-(aminomethyl)-3-cyano-2-hydroxybenzoic acid
CID 118851425
2-cyano-3-ethyl-6-hydroxybenzoic acid
CID 118994597
4-(chloromethyl)-2-cyano-3-methylbenzoic acid
CID 130848817
2-cyano-3-ethyl-5-hydroxybenzoic acid
CID 119002116
4-bromo-3-cyano-2-ethylbenzoic acid
CID 118849833
6-(bromomethyl)-2-cyano-3-ethylbenzoic acid
CID 131625098
4-cyano-3-ethyl-5-hydroxybenzoic acid
CID 118810532
3-cyano-2-ethyl-4-methoxybenzoic acid
CID 131530269
2-(2-cyano-3,6-diethylphenyl)acetic acid
CID 119014105

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-ethyl-3-hydroxybenzoic acid?
The IUPAC name of 2-cyano-4-ethyl-3-hydroxybenzoic acid (CID 131073078) is 2-cyano-4-ethyl-3-hydroxybenzoic acid.
What is the SMILES notation for 2-cyano-4-ethyl-3-hydroxybenzoic acid?
The canonical SMILES for 2-cyano-4-ethyl-3-hydroxybenzoic acid is CCc1ccc(C(=O)O)c(C#N)c1O.
What is the InChIKey of 2-cyano-4-ethyl-3-hydroxybenzoic acid?
The InChIKey is SBMMJRGDIDGTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-6-3-4-7(10(13)14)8(5-11)9(6)12/h3-4,12H,2H2,1H3,(H,13,14).
What are the key properties of 2-cyano-4-ethyl-3-hydroxybenzoic acid?
2-cyano-4-ethyl-3-hydroxybenzoic acid has a molecular weight of 191.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-ethyl-3-hydroxybenzoic acid is sourced from PubChem (CID 131073078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).