4-cyano-3-ethyl-5-hydroxybenzoic acid

C10H9NO3 — CID 118810532

IUPAC4-cyano-3-ethyl-5-hydroxybenzoic acid
SMILESCCc1cc(C(=O)O)cc(O)c1C#N
InChIInChI=1S/C10H9NO3/c1-2-6-3-7(10(13)14)4-9(12)8(6)5-11/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeyITLNSGGCCVKANI-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.52
Rot. Bonds2

About 4-cyano-3-ethyl-5-hydroxybenzoic acid

4-cyano-3-ethyl-5-hydroxybenzoic acid (PubChem CID 118810532) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-cyano-3-ethyl-5-hydroxybenzoic acid.

Molecular Properties

Compound Name4-cyano-3-ethyl-5-hydroxybenzoic acid
PubChem CID118810532
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-cyano-3-ethyl-5-hydroxybenzoic acid
SMILESCCc1cc(C(=O)O)cc(O)c1C#N
InChIInChI=1S/C10H9NO3/c1-2-6-3-7(10(13)14)4-9(12)8(6)5-11/h3-4,12H,2H2,1H3,(H,13,14)
InChIKeyITLNSGGCCVKANI-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

4-cyano-3-ethyl-5-methoxybenzoic acid
CID 131475203
2-cyano-3-ethyl-5-hydroxybenzoic acid
CID 119002116
2-cyano-4-ethyl-3-hydroxybenzoic acid
CID 131073078
2-cyano-3-ethyl-6-hydroxybenzoic acid
CID 118994597
3-cyano-4-(difluoromethyl)-5-ethylbenzoic acid
CID 131468290
5-chloro-2-cyano-3-ethylbenzoic acid
CID 130863050
2-(5-bromo-2-cyano-3-ethylphenyl)acetic acid
CID 131288990
2-(2-cyano-3-ethyl-5-sulfanylphenyl)acetic acid
CID 135742976
2-(3-cyano-4-ethyl-2-hydroxyphenyl)acetic acid
CID 131527125
ethyl 2-[2-cyano-3-hydroxy-5-(trifluoromethoxy)phenyl]acetate
CID 134653931
methyl 3-chloro-4-cyano-5-ethylbenzoate
CID 134613804
methyl 4-cyano-3-ethyl-5-iodobenzoate
CID 131410878

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-ethyl-5-hydroxybenzoic acid?
The IUPAC name of 4-cyano-3-ethyl-5-hydroxybenzoic acid (CID 118810532) is 4-cyano-3-ethyl-5-hydroxybenzoic acid.
What is the SMILES notation for 4-cyano-3-ethyl-5-hydroxybenzoic acid?
The canonical SMILES for 4-cyano-3-ethyl-5-hydroxybenzoic acid is CCc1cc(C(=O)O)cc(O)c1C#N.
What is the InChIKey of 4-cyano-3-ethyl-5-hydroxybenzoic acid?
The InChIKey is ITLNSGGCCVKANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-6-3-7(10(13)14)4-9(12)8(6)5-11/h3-4,12H,2H2,1H3,(H,13,14).
What are the key properties of 4-cyano-3-ethyl-5-hydroxybenzoic acid?
4-cyano-3-ethyl-5-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 4-cyano-3-ethyl-5-hydroxybenzoic acid is sourced from PubChem (CID 118810532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).