3-hydroxy-2-methylbenzamide

C8H9NO2 — CID 19082098

IUPAC3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(N)=O
InChIInChI=1S/C8H9NO2/c1-5-6(8(9)11)3-2-4-7(5)10/h2-4,10H,1H3,(H2,9,11)
InChIKeyPUSMDIUPKLRNQZ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.80
Rot. Bonds1

About 3-hydroxy-2-methylbenzamide

3-hydroxy-2-methylbenzamide (PubChem CID 19082098) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-2-methylbenzamide
PubChem CID19082098
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(N)=O
InChIInChI=1S/C8H9NO2/c1-5-6(8(9)11)3-2-4-7(5)10/h2-4,10H,1H3,(H2,9,11)
InChIKeyPUSMDIUPKLRNQZ-UHFFFAOYSA-N
XLogP0.80
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylbenzamide?
The IUPAC name of 3-hydroxy-2-methylbenzamide (CID 19082098) is 3-hydroxy-2-methylbenzamide.
What is the SMILES notation for 3-hydroxy-2-methylbenzamide?
The canonical SMILES for 3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(N)=O.
What is the InChIKey of 3-hydroxy-2-methylbenzamide?
The InChIKey is PUSMDIUPKLRNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-6(8(9)11)3-2-4-7(5)10/h2-4,10H,1H3,(H2,9,11).
What are the key properties of 3-hydroxy-2-methylbenzamide?
3-hydroxy-2-methylbenzamide has a molecular weight of 151.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 19082098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).