methyl 5-cyano-4-hydroxy-2-methylbenzoate

C10H9NO3 — CID 130779459

IUPACmethyl 5-cyano-4-hydroxy-2-methylbenzoate
SMILESCOC(=O)c1cc(C#N)c(O)cc1C
InChIInChI=1S/C10H9NO3/c1-6-3-9(12)7(5-11)4-8(6)10(13)14-2/h3-4,12H,1-2H3
InChIKeyPMRJXELRGBFCIX-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.36
Rot. Bonds1

About methyl 5-cyano-4-hydroxy-2-methylbenzoate

methyl 5-cyano-4-hydroxy-2-methylbenzoate (PubChem CID 130779459) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 5-cyano-4-hydroxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-cyano-4-hydroxy-2-methylbenzoate
PubChem CID130779459
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 5-cyano-4-hydroxy-2-methylbenzoate
SMILESCOC(=O)c1cc(C#N)c(O)cc1C
InChIInChI=1S/C10H9NO3/c1-6-3-9(12)7(5-11)4-8(6)10(13)14-2/h3-4,12H,1-2H3
InChIKeyPMRJXELRGBFCIX-UHFFFAOYSA-N
XLogP1.36
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-cyano-4-hydroxy-2-methylbenzoate 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

methyl 5-cyano-4-(difluoromethyl)-2-methylbenzoate
CID 134649599
methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate
CID 154006056
methyl 4-cyano-5-(hydroxymethyl)-2-methylbenzoate
CID 131589845
methyl 4-bromo-5-cyano-2-hydroxybenzoate
CID 121227807
methyl 5-cyano-2-hydroxy-4-sulfanylbenzoate
CID 130822693
methyl 5-bromo-4-hydroxy-2-methylbenzoate
CID 131384435
methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
dimethyl 2-cyanobenzene-1,4-dicarboxylate
CID 604834
methyl 4-chloro-2-cyano-5-hydroxybenzoate
CID 130778065
methyl 5-cyano-2-(difluoromethyl)-4-methylbenzoate
CID 134646953
ethane;methyl 4-hydroxy-2-methyl-5-nitrobenzoate
CID 143821268
methyl 3,5-dicyano-2-methyl-4-propan-2-ylbenzoate
CID 175395313

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-4-hydroxy-2-methylbenzoate?
The IUPAC name of methyl 5-cyano-4-hydroxy-2-methylbenzoate (CID 130779459) is methyl 5-cyano-4-hydroxy-2-methylbenzoate.
What is the SMILES notation for methyl 5-cyano-4-hydroxy-2-methylbenzoate?
The canonical SMILES for methyl 5-cyano-4-hydroxy-2-methylbenzoate is COC(=O)c1cc(C#N)c(O)cc1C.
What is the InChIKey of methyl 5-cyano-4-hydroxy-2-methylbenzoate?
The InChIKey is PMRJXELRGBFCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-3-9(12)7(5-11)4-8(6)10(13)14-2/h3-4,12H,1-2H3.
What are the key properties of methyl 5-cyano-4-hydroxy-2-methylbenzoate?
methyl 5-cyano-4-hydroxy-2-methylbenzoate has a molecular weight of 191.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-4-hydroxy-2-methylbenzoate is sourced from PubChem (CID 130779459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).