2-cyano-3-ethyl-6-hydroxybenzoic acid

C10H9NO3 — CID 118994597

IUPAC2-cyano-3-ethyl-6-hydroxybenzoic acid
SMILESCCc1ccc(O)c(C(=O)O)c1C#N
InChIInChI=1S/C10H9NO3/c1-2-6-3-4-8(12)9(10(13)14)7(6)5-11/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeyQDMGOVYYRDHSGH-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.52
Rot. Bonds2

About 2-cyano-3-ethyl-6-hydroxybenzoic acid

2-cyano-3-ethyl-6-hydroxybenzoic acid (PubChem CID 118994597) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-cyano-3-ethyl-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-cyano-3-ethyl-6-hydroxybenzoic acid
PubChem CID118994597
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-cyano-3-ethyl-6-hydroxybenzoic acid
SMILESCCc1ccc(O)c(C(=O)O)c1C#N
InChIInChI=1S/C10H9NO3/c1-2-6-3-4-8(12)9(10(13)14)7(6)5-11/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeyQDMGOVYYRDHSGH-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

methyl 2-cyano-3-ethyl-6-hydroxybenzoate
CID 131598909
6-(bromomethyl)-2-cyano-3-ethylbenzoic acid
CID 131625098
2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid
CID 131527125
3-cyano-2-ethyl-6-hydroxybenzoic acid
CID 130863076
2-cyano-6-ethyl-3-iodobenzoic acid
CID 118995787
3-chloro-2-cyano-6-ethylbenzoic acid
CID 130775405
2-cyano-4-ethyl-3-hydroxybenzoic acid
CID 131073078
2-(2-cyano-3,6-diethylphenyl)acetic acid
CID 119014105
ethyl 3-(bromomethyl)-2-cyano-6-hydroxybenzoate
CID 131459529
3-cyano-6-ethyl-2-methylbenzoic acid
CID 130951339
2-cyano-3-(hydroxymethyl)-6-sulfanylbenzoic acid
CID 130935548
3-cyano-6-ethyl-2-sulfanylbenzoic acid
CID 131117972

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-ethyl-6-hydroxybenzoic acid?
The IUPAC name of 2-cyano-3-ethyl-6-hydroxybenzoic acid (CID 118994597) is 2-cyano-3-ethyl-6-hydroxybenzoic acid.
What is the SMILES notation for 2-cyano-3-ethyl-6-hydroxybenzoic acid?
The canonical SMILES for 2-cyano-3-ethyl-6-hydroxybenzoic acid is CCc1ccc(O)c(C(=O)O)c1C#N.
What is the InChIKey of 2-cyano-3-ethyl-6-hydroxybenzoic acid?
The InChIKey is QDMGOVYYRDHSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-6-3-4-8(12)9(10(13)14)7(6)5-11/h3-4,12H,2H2,1H3,(H,13,14).
What are the key properties of 2-cyano-3-ethyl-6-hydroxybenzoic acid?
2-cyano-3-ethyl-6-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-3-ethyl-6-hydroxybenzoic acid is sourced from PubChem (CID 118994597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).