4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol

C21H22N2O2 — CID 166630890

IUPAC4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol
SMILESCCC(CCc1cnc[nH]1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H22N2O2/c1-2-15(3-8-18-13-22-14-23-18)21(16-4-9-19(24)10-5-16)17-6-11-20(25)12-7-17/h4-7,9-14,24-25H,2-3,8H2,1H3,(H,22,23)
InChIKeyYZTDHHGFZAWKLD-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.67
Rot. Bonds6

About 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol

4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol (PubChem CID 166630890) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol
PubChem CID166630890
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol
SMILESCCC(CCc1cnc[nH]1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H22N2O2/c1-2-15(3-8-18-13-22-14-23-18)21(16-4-9-19(24)10-5-16)17-6-11-20(25)12-7-17/h4-7,9-14,24-25H,2-3,8H2,1H3,(H,22,23)
InChIKeyYZTDHHGFZAWKLD-UHFFFAOYSA-N
XLogP4.67
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Fadolmidine
CID 6433098
2-((N-(1-(1H-Imidazol-4-yl)-2-propyl)imino)phenylmethyl)phenol
CID 132222
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
Ledazerol
CID 65932
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-
CID 3074845
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-methyl-
CID 3074846
(+)-2-Hydroxy-3-(1-(1H-imidazol-4-yl)ethyl)benzenecarboximidamide hydrate
CID 3074849
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-(1-methylethyl)-, hydrate
CID 3074850
3-(1H-imidazol-4-yl)phenol
CID 24971332
2-(1H-imidazol-4-yl)phenol
CID 10307884

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol?
The IUPAC name of 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol (CID 166630890) is 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol.
What is the SMILES notation for 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol?
The canonical SMILES for 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol is CCC(CCc1cnc[nH]1)=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol?
The InChIKey is YZTDHHGFZAWKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-15(3-8-18-13-22-14-23-18)21(16-4-9-19(24)10-5-16)17-6-11-20(25)12-7-17/h4-7,9-14,24-25H,2-3,8H2,1H3,(H,22,23).
What are the key properties of 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol?
4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol is sourced from PubChem (CID 166630890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).