2-(hydroxymethyl)-5-methylbenzamide

C9H11NO2 — CID 166888103

IUPAC2-(hydroxymethyl)-5-methylbenzamide
SMILESCc1ccc(CO)c(C(N)=O)c1
InChIInChI=1S/C9H11NO2/c1-6-2-3-7(5-11)8(4-6)9(10)12/h2-4,11H,5H2,1H3,(H2,10,12)
InChIKeyOMDPBVPEYHEUEF-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.59
Rot. Bonds2

About 2-(hydroxymethyl)-5-methylbenzamide

2-(hydroxymethyl)-5-methylbenzamide (PubChem CID 166888103) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methylbenzamide
PubChem CID166888103
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(hydroxymethyl)-5-methylbenzamide
SMILESCc1ccc(CO)c(C(N)=O)c1
InChIInChI=1S/C9H11NO2/c1-6-2-3-7(5-11)8(4-6)9(10)12/h2-4,11H,5H2,1H3,(H2,10,12)
InChIKeyOMDPBVPEYHEUEF-UHFFFAOYSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(hydroxymethyl)-5-methylbenzamide 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-acetyl-4-methylbenzamide
CID 163253724
ethane;2-(hydroxymethyl)-5-(4-methylphenyl)benzoic acid
CID 143170449
4-methyl-2-sulfanylbenzamide
CID 89156088
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
(2-hydrazinyl-4-methylphenyl)methanol
CID 118803713
2-benzoyl-5-methylbenzamide
CID 69123799
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
2-(2-bromo-4-methylphenyl)acetamide
CID 158519264
2-(chloromethyl)-5-methylbenzoic acid
CID 91883401
4-(hydroxymethyl)-2-methylbenzamide
CID 69484226
2-(2-carbamoyl-5-methylphenyl)-N,N-dimethylethanamine oxide
CID 142839862
methyl 2-(2-aminopropyl)-5-methylbenzoate
CID 91392427

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methylbenzamide?
The IUPAC name of 2-(hydroxymethyl)-5-methylbenzamide (CID 166888103) is 2-(hydroxymethyl)-5-methylbenzamide.
What is the SMILES notation for 2-(hydroxymethyl)-5-methylbenzamide?
The canonical SMILES for 2-(hydroxymethyl)-5-methylbenzamide is Cc1ccc(CO)c(C(N)=O)c1.
What is the InChIKey of 2-(hydroxymethyl)-5-methylbenzamide?
The InChIKey is OMDPBVPEYHEUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-2-3-7(5-11)8(4-6)9(10)12/h2-4,11H,5H2,1H3,(H2,10,12).
What are the key properties of 2-(hydroxymethyl)-5-methylbenzamide?
2-(hydroxymethyl)-5-methylbenzamide has a molecular weight of 165.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methylbenzamide is sourced from PubChem (CID 166888103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).