4-hydroxy-2,3,6-trimethylbenzamide

C10H13NO2 — CID 95423610

IUPAC4-hydroxy-2,3,6-trimethylbenzamide
SMILESCc1cc(O)c(C)c(C)c1C(N)=O
InChIInChI=1S/C10H13NO2/c1-5-4-8(12)6(2)7(3)9(5)10(11)13/h4,12H,1-3H3,(H2,11,13)
InChIKeyWCCRGSWQWXUTCN-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.42
Rot. Bonds1

About 4-hydroxy-2,3,6-trimethylbenzamide

4-hydroxy-2,3,6-trimethylbenzamide (PubChem CID 95423610) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-hydroxy-2,3,6-trimethylbenzamide.

Molecular Properties

Compound Name4-hydroxy-2,3,6-trimethylbenzamide
PubChem CID95423610
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-hydroxy-2,3,6-trimethylbenzamide
SMILESCc1cc(O)c(C)c(C)c1C(N)=O
InChIInChI=1S/C10H13NO2/c1-5-4-8(12)6(2)7(3)9(5)10(11)13/h4,12H,1-3H3,(H2,11,13)
InChIKeyWCCRGSWQWXUTCN-UHFFFAOYSA-N
XLogP1.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-hydroxy-2,3,6-trimethylphenyl)propan-1-one
CID 115113441
ethyl 2-(4-hydroxy-2,3,6-trimethylphenyl)-2-oxoacetate
CID 82552654
3-hydroxy-4,5-dimethylbenzamide
CID 130882471
carbonic acid;2,3,5-trimethylbenzene-1,4-diol
CID 174747915
4,6-dihydroxy-2,3-dimethylbenzoic acid
CID 71365885
1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 143873260
2,4,6-trimethyl-3-propylbenzamide
CID 57035510
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
3-hydroxy-2,5-dimethylbenzamide
CID 119002669
5-hydroxy-3,4-dimethylphthalic acid
CID 87631435
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
actinium;2,3,5-trimethylbenzene-1,4-diol
CID 22949987

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3,6-trimethylbenzamide?
The IUPAC name of 4-hydroxy-2,3,6-trimethylbenzamide (CID 95423610) is 4-hydroxy-2,3,6-trimethylbenzamide.
What is the SMILES notation for 4-hydroxy-2,3,6-trimethylbenzamide?
The canonical SMILES for 4-hydroxy-2,3,6-trimethylbenzamide is Cc1cc(O)c(C)c(C)c1C(N)=O.
What is the InChIKey of 4-hydroxy-2,3,6-trimethylbenzamide?
The InChIKey is WCCRGSWQWXUTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-5-4-8(12)6(2)7(3)9(5)10(11)13/h4,12H,1-3H3,(H2,11,13).
What are the key properties of 4-hydroxy-2,3,6-trimethylbenzamide?
4-hydroxy-2,3,6-trimethylbenzamide has a molecular weight of 179.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3,6-trimethylbenzamide is sourced from PubChem (CID 95423610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).