3-hydroxy-2,5-dimethylbenzamide

C9H11NO2 — CID 119002669

IUPAC3-hydroxy-2,5-dimethylbenzamide
SMILESCc1cc(O)c(C)c(C(N)=O)c1
InChIInChI=1S/C9H11NO2/c1-5-3-7(9(10)12)6(2)8(11)4-5/h3-4,11H,1-2H3,(H2,10,12)
InChIKeyIKTMZZRPSQWEJB-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.11
Rot. Bonds1

About 3-hydroxy-2,5-dimethylbenzamide

3-hydroxy-2,5-dimethylbenzamide (PubChem CID 119002669) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-hydroxy-2,5-dimethylbenzamide.

Molecular Properties

Compound Name3-hydroxy-2,5-dimethylbenzamide
PubChem CID119002669
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-hydroxy-2,5-dimethylbenzamide
SMILESCc1cc(O)c(C)c(C(N)=O)c1
InChIInChI=1S/C9H11NO2/c1-5-3-7(9(10)12)6(2)8(11)4-5/h3-4,11H,1-2H3,(H2,10,12)
InChIKeyIKTMZZRPSQWEJB-UHFFFAOYSA-N
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-hydroxy-2,5-dimethylbenzoic acid
CID 142823767
3-chloro-2,5-dimethylbenzamide
CID 171008035
3-amino-2-hydroxy-5-methylbenzamide
CID 59564180
2,5-dimethyl-3-nitrobenzamide
CID 119008464
3-bromo-2-chloro-5-methylbenzamide
CID 131538692
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
3-hydroxy-4,5-dimethylbenzamide
CID 130882471
4-hydroxy-2,3,6-trimethylbenzamide
CID 95423610
2,3-dimethyl-5-sulfamoylbenzamide
CID 65373668
3-amino-2-methoxy-5-methylbenzamide
CID 50882289
2-acetyl-4-methylbenzamide
CID 163253724
3,4,5-trifluoro-2-methylbenzamide
CID 87559978

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,5-dimethylbenzamide?
The IUPAC name of 3-hydroxy-2,5-dimethylbenzamide (CID 119002669) is 3-hydroxy-2,5-dimethylbenzamide.
What is the SMILES notation for 3-hydroxy-2,5-dimethylbenzamide?
The canonical SMILES for 3-hydroxy-2,5-dimethylbenzamide is Cc1cc(O)c(C)c(C(N)=O)c1.
What is the InChIKey of 3-hydroxy-2,5-dimethylbenzamide?
The InChIKey is IKTMZZRPSQWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-3-7(9(10)12)6(2)8(11)4-5/h3-4,11H,1-2H3,(H2,10,12).
What are the key properties of 3-hydroxy-2,5-dimethylbenzamide?
3-hydroxy-2,5-dimethylbenzamide has a molecular weight of 165.19 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,5-dimethylbenzamide is sourced from PubChem (CID 119002669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).