3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol

C14H18N2O — CID 14868323

IUPAC3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol
SMILESCC(C)(C)Cn1cncc1-c1cccc(O)c1
InChIInChI=1S/C14H18N2O/c1-14(2,3)9-16-10-15-8-13(16)11-5-4-6-12(17)7-11/h4-8,10,17H,9H2,1-3H3
InChIKeyFVFTZSLCJSIRRG-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.30
Rot. Bonds2

About 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol

3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol (PubChem CID 14868323) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol.

Molecular Properties

Compound Name3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol
PubChem CID14868323
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol
SMILESCC(C)(C)Cn1cncc1-c1cccc(O)c1
InChIInChI=1S/C14H18N2O/c1-14(2,3)9-16-10-15-8-13(16)11-5-4-6-12(17)7-11/h4-8,10,17H,9H2,1-3H3
InChIKeyFVFTZSLCJSIRRG-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol?
The IUPAC name of 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol (CID 14868323) is 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol.
What is the SMILES notation for 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol?
The canonical SMILES for 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol is CC(C)(C)Cn1cncc1-c1cccc(O)c1.
What is the InChIKey of 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol?
The InChIKey is FVFTZSLCJSIRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)9-16-10-15-8-13(16)11-5-4-6-12(17)7-11/h4-8,10,17H,9H2,1-3H3.
What are the key properties of 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol?
3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol has a molecular weight of 230.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol is sourced from PubChem (CID 14868323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).