[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol

C13H16N2O — CID 110005702

IUPAC[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
SMILESCCc1nccn1Cc1ccc(CO)cc1
InChIInChI=1S/C13H16N2O/c1-2-13-14-7-8-15(13)9-11-3-5-12(10-16)6-4-11/h3-8,16H,2,9-10H2,1H3
InChIKeyXEHDSNVAVFSNPJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.99
Rot. Bonds4

About [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol

[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol (PubChem CID 110005702) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
PubChem CID110005702
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
SMILESCCc1nccn1Cc1ccc(CO)cc1
InChIInChI=1S/C13H16N2O/c1-2-13-14-7-8-15(13)9-11-3-5-12(10-16)6-4-11/h3-8,16H,2,9-10H2,1H3
InChIKeyXEHDSNVAVFSNPJ-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol
CID 69208976
[5-[(2-ethylimidazol-1-yl)methyl]-2-fluorophenyl]boronic acid
CID 54970735
[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol
CID 174239497
[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889050
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
4-[(2-ethylimidazol-1-yl)methyl]-N-methylpyridin-2-amine
CID 62465996
N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465995
4-[[2-(aminomethyl)imidazol-1-yl]methyl]phenol
CID 13477994
[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
CID 103038769
4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 63881824

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol (CID 110005702) is [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol is CCc1nccn1Cc1ccc(CO)cc1.
What is the InChIKey of [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol?
The InChIKey is XEHDSNVAVFSNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-13-14-7-8-15(13)9-11-3-5-12(10-16)6-4-11/h3-8,16H,2,9-10H2,1H3.
What are the key properties of [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol?
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol has a molecular weight of 216.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 110005702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).