4-(butylideneamino)-3,5-dimethylphenol

C12H17NO — CID 70453399

IUPAC4-(butylideneamino)-3,5-dimethylphenol
SMILESCCC/C=N/c1c(C)cc(O)cc1C
InChIInChI=1S/C12H17NO/c1-4-5-6-13-12-9(2)7-11(14)8-10(12)3/h6-8,14H,4-5H2,1-3H3/b13-6+
InChIKeyFBKRHHIDNCKYNE-AWNIVKPZSA-N
MW191.27 g/mol
LogP3.51
Rot. Bonds3

About 4-(butylideneamino)-3,5-dimethylphenol

4-(butylideneamino)-3,5-dimethylphenol (PubChem CID 70453399) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(butylideneamino)-3,5-dimethylphenol.

Molecular Properties

Compound Name4-(butylideneamino)-3,5-dimethylphenol
PubChem CID70453399
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(butylideneamino)-3,5-dimethylphenol
SMILESCCC/C=N/c1c(C)cc(O)cc1C
InChIInChI=1S/C12H17NO/c1-4-5-6-13-12-9(2)7-11(14)8-10(12)3/h6-8,14H,4-5H2,1-3H3/b13-6+
InChIKeyFBKRHHIDNCKYNE-AWNIVKPZSA-N
XLogP3.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(butylideneamino)-3,5-dimethylphenol?
The IUPAC name of 4-(butylideneamino)-3,5-dimethylphenol (CID 70453399) is 4-(butylideneamino)-3,5-dimethylphenol.
What is the SMILES notation for 4-(butylideneamino)-3,5-dimethylphenol?
The canonical SMILES for 4-(butylideneamino)-3,5-dimethylphenol is CCC/C=N/c1c(C)cc(O)cc1C.
What is the InChIKey of 4-(butylideneamino)-3,5-dimethylphenol?
The InChIKey is FBKRHHIDNCKYNE-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-5-6-13-12-9(2)7-11(14)8-10(12)3/h6-8,14H,4-5H2,1-3H3/b13-6+.
What are the key properties of 4-(butylideneamino)-3,5-dimethylphenol?
4-(butylideneamino)-3,5-dimethylphenol has a molecular weight of 191.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylideneamino)-3,5-dimethylphenol is sourced from PubChem (CID 70453399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).