3-[(2-tert-butylimidazol-1-yl)methyl]phenol

C14H18N2O — CID 82560371

IUPAC3-[(2-tert-butylimidazol-1-yl)methyl]phenol
SMILESCC(C)(C)c1nccn1Cc1cccc(O)c1
InChIInChI=1S/C14H18N2O/c1-14(2,3)13-15-7-8-16(13)10-11-5-4-6-12(17)9-11/h4-9,17H,10H2,1-3H3
InChIKeyACHOPBQLUNGKIL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.93
Rot. Bonds2

About 3-[(2-tert-butylimidazol-1-yl)methyl]phenol

3-[(2-tert-butylimidazol-1-yl)methyl]phenol (PubChem CID 82560371) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(2-tert-butylimidazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(2-tert-butylimidazol-1-yl)methyl]phenol
PubChem CID82560371
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[(2-tert-butylimidazol-1-yl)methyl]phenol
SMILESCC(C)(C)c1nccn1Cc1cccc(O)c1
InChIInChI=1S/C14H18N2O/c1-14(2,3)13-15-7-8-16(13)10-11-5-4-6-12(17)9-11/h4-9,17H,10H2,1-3H3
InChIKeyACHOPBQLUNGKIL-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561567
3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 82560734
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560019
3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560208
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol
CID 82560859
3-[[2-(trichloromethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561634
2-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561566
1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol
CID 66771516
2-(2-tert-butylimidazol-1-yl)acetonitrile
CID 82561565
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931
2-[1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanylethanol
CID 94689526

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylimidazol-1-yl)methyl]phenol?
The IUPAC name of 3-[(2-tert-butylimidazol-1-yl)methyl]phenol (CID 82560371) is 3-[(2-tert-butylimidazol-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(2-tert-butylimidazol-1-yl)methyl]phenol?
The canonical SMILES for 3-[(2-tert-butylimidazol-1-yl)methyl]phenol is CC(C)(C)c1nccn1Cc1cccc(O)c1.
What is the InChIKey of 3-[(2-tert-butylimidazol-1-yl)methyl]phenol?
The InChIKey is ACHOPBQLUNGKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)13-15-7-8-16(13)10-11-5-4-6-12(17)9-11/h4-9,17H,10H2,1-3H3.
What are the key properties of 3-[(2-tert-butylimidazol-1-yl)methyl]phenol?
3-[(2-tert-butylimidazol-1-yl)methyl]phenol has a molecular weight of 230.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylimidazol-1-yl)methyl]phenol is sourced from PubChem (CID 82560371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).