2-(4-cyanophenyl)-2-hydroxypropanoic acid

C10H9NO3 — CID 11513906

IUPAC2-(4-cyanophenyl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ccc(C#N)cc1
InChIInChI=1S/C10H9NO3/c1-10(14,9(12)13)8-4-2-7(6-11)3-5-8/h2-5,14H,1H3,(H,12,13)
InChIKeyJJTPAASHRYIPIP-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.85
Rot. Bonds2

About 2-(4-cyanophenyl)-2-hydroxypropanoic acid

2-(4-cyanophenyl)-2-hydroxypropanoic acid (PubChem CID 11513906) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-hydroxypropanoic acid
PubChem CID11513906
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-(4-cyanophenyl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ccc(C#N)cc1
InChIInChI=1S/C10H9NO3/c1-10(14,9(12)13)8-4-2-7(6-11)3-5-8/h2-5,14H,1H3,(H,12,13)
InChIKeyJJTPAASHRYIPIP-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxy-3-methylbut-3-en-2-yl)benzonitrile
CID 115481601
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
4-(4-cyanophenyl)-2-hydroxy-2-methylbutanoic acid
CID 126728507
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
4-(2-methyl-3-oxobutan-2-yl)benzonitrile
CID 53344188
2-(4-cyanophenyl)-2-methylpropanoyl chloride
CID 117047662
3-(4-cyanophenyl)-3-methylbutanoic acid
CID 71620536
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
4-(4-cyanophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CID 18551156
2-(4-cyanophenyl)-2-hydroxy-2-phenylacetamide
CID 139613574
4-amino-2-(4-cyanophenyl)-2-methylbutanoic acid
CID 117049839

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(4-cyanophenyl)-2-hydroxypropanoic acid (CID 11513906) is 2-(4-cyanophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(4-cyanophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(4-cyanophenyl)-2-hydroxypropanoic acid is CC(O)(C(=O)O)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-2-hydroxypropanoic acid?
The InChIKey is JJTPAASHRYIPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-10(14,9(12)13)8-4-2-7(6-11)3-5-8/h2-5,14H,1H3,(H,12,13).
What are the key properties of 2-(4-cyanophenyl)-2-hydroxypropanoic acid?
2-(4-cyanophenyl)-2-hydroxypropanoic acid has a molecular weight of 191.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 11513906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).