2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid

C11H11NO3 — CID 131527125

IUPAC2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid
SMILESCCc1ccc(CC(=O)O)c(O)c1C#N
InChIInChI=1S/C11H11NO3/c1-2-7-3-4-8(5-10(13)14)11(15)9(7)6-12/h3-4,15H,2,5H2,1H3,(H,13,14)
InChIKeyCGWDHWMYAPNQCC-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.45
Rot. Bonds3

About 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid

2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid (PubChem CID 131527125) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid
PubChem CID131527125
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid
SMILESCCc1ccc(CC(=O)O)c(O)c1C#N
InChIInChI=1S/C11H11NO3/c1-2-7-3-4-8(5-10(13)14)11(15)9(7)6-12/h3-4,15H,2,5H2,1H3,(H,13,14)
InChIKeyCGWDHWMYAPNQCC-UHFFFAOYSA-N
XLogP1.45
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-3,6-diethylphenyl)acetic acid
CID 119014105
2-cyano-4-ethyl-3-hydroxybenzoic acid
CID 131073078
2-cyano-3-ethyl-6-hydroxybenzoic acid
CID 118994597
6-(bromomethyl)-2-cyano-3-ethylbenzoic acid
CID 131625098
2-(3-cyano-2-ethyl-4-formylphenyl)acetic acid
CID 135742901
methyl 2-cyano-3-ethyl-6-hydroxybenzoate
CID 131598909
2-(5-bromo-2-cyano-3-ethylphenyl)acetic acid
CID 131288990
2-(2-cyano-3-ethyl-5-sulfanylphenyl)acetic acid
CID 135742976
methyl 2-[4-(chloromethyl)-3-cyano-2-hydroxyphenyl]acetate
CID 131492554
3-cyano-4-ethyl-2-methoxybenzoic acid
CID 131530272
ethyl 2-(3-cyano-2-hydroxy-4-methylphenyl)acetate
CID 134632991
2-(3-cyano-2,6-diethylphenyl)acetic acid
CID 135742920

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid (CID 131527125) is 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid is CCc1ccc(CC(=O)O)c(O)c1C#N.
What is the InChIKey of 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid?
The InChIKey is CGWDHWMYAPNQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-7-3-4-8(5-10(13)14)11(15)9(7)6-12/h3-4,15H,2,5H2,1H3,(H,13,14).
What are the key properties of 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid?
2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 131527125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).