3-hydroxy-4,5-dimethylbenzamide

C9H11NO2 — CID 130882471

IUPAC3-hydroxy-4,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(O)c1C
InChIInChI=1S/C9H11NO2/c1-5-3-7(9(10)12)4-8(11)6(5)2/h3-4,11H,1-2H3,(H2,10,12)
InChIKeyOUABPBJLHHIMHD-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.11
Rot. Bonds1

About 3-hydroxy-4,5-dimethylbenzamide

3-hydroxy-4,5-dimethylbenzamide (PubChem CID 130882471) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-hydroxy-4,5-dimethylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4,5-dimethylbenzamide
PubChem CID130882471
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-hydroxy-4,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(O)c1C
InChIInChI=1S/C9H11NO2/c1-5-3-7(9(10)12)4-8(11)6(5)2/h3-4,11H,1-2H3,(H2,10,12)
InChIKeyOUABPBJLHHIMHD-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

ethyl 2-(3-hydroxy-4,5-dimethylphenyl)-2-oxoacetate
CID 117317811
3-tert-butyl-4-hydroxy-5-methylbenzamide
CID 139649291
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
CID 65368231
4-hydroxy-2,3,6-trimethylbenzamide
CID 95423610
3-(4-carbamoyl-2-hydroxy-6-methylphenoxy)propane-1-sulfonic acid
CID 134461882
3,4-dichloro-5-methylbenzamide
CID 121228378
4-methylbenzene-1,2-diol;3,4,5-trihydroxybenzamide
CID 157213392
4-bromo-3-iodo-5-methylbenzamide
CID 171033354
3-hydroxy-2,5-dimethylbenzamide
CID 119002669
(4-carbamoyl-2,6-dimethylphenyl) trifluoromethanesulfonate;4-hydroxy-3,5-dimethylbenzamide
CID 159597082
3,5-dimethyl-4-pyrrolidin-1-ylbenzamide
CID 168513451
3-tert-butyl-5-methylbenzamide
CID 59479391

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,5-dimethylbenzamide?
The IUPAC name of 3-hydroxy-4,5-dimethylbenzamide (CID 130882471) is 3-hydroxy-4,5-dimethylbenzamide.
What is the SMILES notation for 3-hydroxy-4,5-dimethylbenzamide?
The canonical SMILES for 3-hydroxy-4,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(O)c1C.
What is the InChIKey of 3-hydroxy-4,5-dimethylbenzamide?
The InChIKey is OUABPBJLHHIMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-3-7(9(10)12)4-8(11)6(5)2/h3-4,11H,1-2H3,(H2,10,12).
What are the key properties of 3-hydroxy-4,5-dimethylbenzamide?
3-hydroxy-4,5-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-4,5-dimethylbenzamide is sourced from PubChem (CID 130882471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).