3-tert-butyl-4-hydroxy-5-methylbenzamide

C12H17NO2 — CID 139649291

IUPAC3-tert-butyl-4-hydroxy-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C12H17NO2/c1-7-5-8(11(13)15)6-9(10(7)14)12(2,3)4/h5-6,14H,1-4H3,(H2,13,15)
InChIKeyICAASFUSWLGMKZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.10
Rot. Bonds1

About 3-tert-butyl-4-hydroxy-5-methylbenzamide

3-tert-butyl-4-hydroxy-5-methylbenzamide (PubChem CID 139649291) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-tert-butyl-4-hydroxy-5-methylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-4-hydroxy-5-methylbenzamide
PubChem CID139649291
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-tert-butyl-4-hydroxy-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C12H17NO2/c1-7-5-8(11(13)15)6-9(10(7)14)12(2,3)4/h5-6,14H,1-4H3,(H2,13,15)
InChIKeyICAASFUSWLGMKZ-UHFFFAOYSA-N
XLogP2.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-oxoacetic acid
CID 117344844
N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide
CID 173312575
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 175115619
hexadecyl 3-tert-butyl-4-hydroxy-5-methylbenzoate
CID 20789149
3-hydroxy-4,5-dimethylbenzamide
CID 130882471
2-tert-butyl-4,6-dimethylphenol
CID 87814182
(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone
CID 22104766
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140
(3,5-ditert-butyl-4-hydroxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 25142145
CID 153384878
CID 153384878
lithium 3,5-ditert-butyl-4-hydroxybenzoate
CID 139788661

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-hydroxy-5-methylbenzamide?
The IUPAC name of 3-tert-butyl-4-hydroxy-5-methylbenzamide (CID 139649291) is 3-tert-butyl-4-hydroxy-5-methylbenzamide.
What is the SMILES notation for 3-tert-butyl-4-hydroxy-5-methylbenzamide?
The canonical SMILES for 3-tert-butyl-4-hydroxy-5-methylbenzamide is Cc1cc(C(N)=O)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-tert-butyl-4-hydroxy-5-methylbenzamide?
The InChIKey is ICAASFUSWLGMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-5-8(11(13)15)6-9(10(7)14)12(2,3)4/h5-6,14H,1-4H3,(H2,13,15).
What are the key properties of 3-tert-butyl-4-hydroxy-5-methylbenzamide?
3-tert-butyl-4-hydroxy-5-methylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-hydroxy-5-methylbenzamide is sourced from PubChem (CID 139649291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).