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

C10H9NO3 — CID 130863076

IUPAC3-cyano-2-ethyl-6-hydroxybenzoic acid
SMILESCCc1c(C#N)ccc(O)c1C(=O)O
InChIInChI=1S/C10H9NO3/c1-2-7-6(5-11)3-4-8(12)9(7)10(13)14/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeyQWRLDODUSUIUDM-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.52
Rot. Bonds2

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

3-cyano-2-ethyl-6-hydroxybenzoic acid (PubChem CID 130863076) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-cyano-2-ethyl-6-hydroxybenzoic acid.

Molecular Properties

Compound Name3-cyano-2-ethyl-6-hydroxybenzoic acid
PubChem CID130863076
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-cyano-2-ethyl-6-hydroxybenzoic acid
SMILESCCc1c(C#N)ccc(O)c1C(=O)O
InChIInChI=1S/C10H9NO3/c1-2-7-6(5-11)3-4-8(12)9(7)10(13)14/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeyQWRLDODUSUIUDM-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-3-ethyl-6-hydroxybenzoic acid
CID 118994597
2-(3-cyano-2,6-diethylphenyl)acetic acid
CID 135742920
3-cyano-6-ethyl-2-methylbenzoic acid
CID 130951339
3-cyano-6-ethyl-2-sulfanylbenzoic acid
CID 131117972
2-(chloromethyl)-4-cyano-3-ethylbenzoic acid
CID 131604240
4-cyano-2-ethyl-3-sulfanylbenzoic acid
CID 118799637
2,3,4-triethylbenzonitrile
CID 22750758
ethyl 6-bromo-3-cyano-2-ethylbenzoate
CID 134650290
2-[3-cyano-2-ethyl-6-(hydroxymethyl)phenyl]acetic acid
CID 135742914
3-acetyl-2-chloro-4-hydroxybenzonitrile
CID 171008953
4-cyano-2-ethyl-3-methoxybenzoic acid
CID 118821974
2-(6-cyano-2-ethyl-3-nitrophenyl)acetic acid
CID 134615279

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-ethyl-6-hydroxybenzoic acid?
The IUPAC name of 3-cyano-2-ethyl-6-hydroxybenzoic acid (CID 130863076) is 3-cyano-2-ethyl-6-hydroxybenzoic acid.
What is the SMILES notation for 3-cyano-2-ethyl-6-hydroxybenzoic acid?
The canonical SMILES for 3-cyano-2-ethyl-6-hydroxybenzoic acid is CCc1c(C#N)ccc(O)c1C(=O)O.
What is the InChIKey of 3-cyano-2-ethyl-6-hydroxybenzoic acid?
The InChIKey is QWRLDODUSUIUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-7-6(5-11)3-4-8(12)9(7)10(13)14/h3-4,12H,2H2,1H3,(H,13,14).
What are the key properties of 3-cyano-2-ethyl-6-hydroxybenzoic acid?
3-cyano-2-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 3-cyano-2-ethyl-6-hydroxybenzoic acid is sourced from PubChem (CID 130863076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).