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

C19H18N2O2 — CID 166626188

IUPAC4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cnc[nH]1
InChIInChI=1S/C19H18N2O2/c1-2-17(18-11-20-12-21-18)19(13-3-7-15(22)8-4-13)14-5-9-16(23)10-6-14/h3-12,22-23H,2H2,1H3,(H,20,21)
InChIKeyJXKCTJSKTAZDGB-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.19
Rot. Bonds4

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

4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol (PubChem CID 166626188) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol
PubChem CID166626188
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cnc[nH]1
InChIInChI=1S/C19H18N2O2/c1-2-17(18-11-20-12-21-18)19(13-3-7-15(22)8-4-13)14-5-9-16(23)10-6-14/h3-12,22-23H,2H2,1H3,(H,20,21)
InChIKeyJXKCTJSKTAZDGB-UHFFFAOYSA-N
XLogP4.19
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Sb-202190
CID 5169
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-[(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-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol (CID 166626188) is 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol is CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cnc[nH]1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol?
The InChIKey is JXKCTJSKTAZDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-17(18-11-20-12-21-18)19(13-3-7-15(22)8-4-13)14-5-9-16(23)10-6-14/h3-12,22-23H,2H2,1H3,(H,20,21).
What are the key properties of 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol has a molecular weight of 306.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol is sourced from PubChem (CID 166626188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).