2-hydroxy-4-methyl-3-propan-2-ylbenzamide

C11H15NO2 — CID 57373684

IUPAC2-hydroxy-4-methyl-3-propan-2-ylbenzamide
SMILESCc1ccc(C(N)=O)c(O)c1C(C)C
InChIInChI=1S/C11H15NO2/c1-6(2)9-7(3)4-5-8(10(9)13)11(12)14/h4-6,13H,1-3H3,(H2,12,14)
InChIKeySYKOMMRVDUVBMS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.92
Rot. Bonds2

About 2-hydroxy-4-methyl-3-propan-2-ylbenzamide

2-hydroxy-4-methyl-3-propan-2-ylbenzamide (PubChem CID 57373684) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-3-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-3-propan-2-ylbenzamide
PubChem CID57373684
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-hydroxy-4-methyl-3-propan-2-ylbenzamide
SMILESCc1ccc(C(N)=O)c(O)c1C(C)C
InChIInChI=1S/C11H15NO2/c1-6(2)9-7(3)4-5-8(10(9)13)11(12)14/h4-6,13H,1-3H3,(H2,12,14)
InChIKeySYKOMMRVDUVBMS-UHFFFAOYSA-N
XLogP1.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-3-propan-2-ylbenzamide?
The IUPAC name of 2-hydroxy-4-methyl-3-propan-2-ylbenzamide (CID 57373684) is 2-hydroxy-4-methyl-3-propan-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-3-propan-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-4-methyl-3-propan-2-ylbenzamide is Cc1ccc(C(N)=O)c(O)c1C(C)C.
What is the InChIKey of 2-hydroxy-4-methyl-3-propan-2-ylbenzamide?
The InChIKey is SYKOMMRVDUVBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6(2)9-7(3)4-5-8(10(9)13)11(12)14/h4-6,13H,1-3H3,(H2,12,14).
What are the key properties of 2-hydroxy-4-methyl-3-propan-2-ylbenzamide?
2-hydroxy-4-methyl-3-propan-2-ylbenzamide has a molecular weight of 193.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-3-propan-2-ylbenzamide is sourced from PubChem (CID 57373684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).