2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid

C10H9NO3 — CID 91883656

IUPAC2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid
SMILESN#CCc1ccc(CC(=O)O)cc1O
InChIInChI=1S/C10H9NO3/c11-4-3-8-2-1-7(5-9(8)12)6-10(13)14/h1-2,5,12H,3,6H2,(H,13,14)
InChIKeyGOPZOXVVKANWRK-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.09
Rot. Bonds3

About 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid

2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid (PubChem CID 91883656) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid
PubChem CID91883656
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid
SMILESN#CCc1ccc(CC(=O)O)cc1O
InChIInChI=1S/C10H9NO3/c11-4-3-8-2-1-7(5-9(8)12)6-10(13)14/h1-2,5,12H,3,6H2,(H,13,14)
InChIKeyGOPZOXVVKANWRK-UHFFFAOYSA-N
XLogP1.09
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydroxyphenyl)acetic acid
CID 547
2-[2-(cyanomethyl)-5-methylsulfanylphenyl]acetic acid
CID 91881726
3-[3-(cyanomethyl)-4-fluorophenyl]propanoic acid
CID 176905219
2-(3-deuterio-4,5-dihydroxyphenyl)acetic acid
CID 10797206
2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile
CID 130870436
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-[3-(bromomethyl)-4-fluorophenyl]acetic acid
CID 99769915
diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium
CID 157274616
2-[2-(cyanomethyl)benzotriazol-5-yl]acetic acid
CID 83968753
2-[2-hydroxy-4-(2-methyl-3-oxopropyl)phenyl]acetic acid
CID 91884332
2-[4-[(1S)-1-amino-2-hydroxyethyl]-3-hydroxyphenyl]acetic acid
CID 66514515
2-(4-ethyl-3-methylsulfanylphenyl)acetic acid
CID 91880877

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid (CID 91883656) is 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid is N#CCc1ccc(CC(=O)O)cc1O.
What is the InChIKey of 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid?
The InChIKey is GOPZOXVVKANWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c11-4-3-8-2-1-7(5-9(8)12)6-10(13)14/h1-2,5,12H,3,6H2,(H,13,14).
What are the key properties of 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid?
2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid has a molecular weight of 191.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid is sourced from PubChem (CID 91883656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).