3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol

C19H20N2O2 — CID 138378576

IUPAC3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol
SMILESCCc1cc(O)ccc1-c1ccccc1OCCn1ccnc1
InChIInChI=1S/C19H20N2O2/c1-2-15-13-16(22)7-8-17(15)18-5-3-4-6-19(18)23-12-11-21-10-9-20-14-21/h3-10,13-14,22H,2,11-12H2,1H3
InChIKeyXEYNPWDBDOPDDH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.90
Rot. Bonds6

About 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol

3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol (PubChem CID 138378576) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol.

Molecular Properties

Compound Name3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol
PubChem CID138378576
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol
SMILESCCc1cc(O)ccc1-c1ccccc1OCCn1ccnc1
InChIInChI=1S/C19H20N2O2/c1-2-15-13-16(22)7-8-17(15)18-5-3-4-6-19(18)23-12-11-21-10-9-20-14-21/h3-10,13-14,22H,2,11-12H2,1H3
InChIKeyXEYNPWDBDOPDDH-UHFFFAOYSA-N
XLogP3.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-[4-(2-imidazol-1-ylethoxy)phenyl]phenol
CID 137341712
4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-ethylphenol
CID 138383034
2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
CID 75531590
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
CID 2993981
5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 113281443
formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol
CID 171991958
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol?
The IUPAC name of 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol (CID 138378576) is 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol.
What is the SMILES notation for 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol?
The canonical SMILES for 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol is CCc1cc(O)ccc1-c1ccccc1OCCn1ccnc1.
What is the InChIKey of 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol?
The InChIKey is XEYNPWDBDOPDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-15-13-16(22)7-8-17(15)18-5-3-4-6-19(18)23-12-11-21-10-9-20-14-21/h3-10,13-14,22H,2,11-12H2,1H3.
What are the key properties of 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol?
3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol has a molecular weight of 308.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol is sourced from PubChem (CID 138378576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).