4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol

C20H20N2O2 — CID 166630812

IUPAC4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol
SMILESCCC(Cn1ccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H20N2O2/c1-2-15(13-22-12-11-21-14-22)20(16-3-7-18(23)8-4-16)17-5-9-19(24)10-6-17/h3-12,14,23-24H,2,13H2,1H3
InChIKeyJQRCRQFMLHQPQB-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.21
Rot. Bonds5

About 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol

4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol (PubChem CID 166630812) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol
PubChem CID166630812
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol
SMILESCCC(Cn1ccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H20N2O2/c1-2-15(13-22-12-11-21-14-22)20(16-3-7-18(23)8-4-16)17-5-9-19(24)10-6-17/h3-12,14,23-24H,2,13H2,1H3
InChIKeyJQRCRQFMLHQPQB-UHFFFAOYSA-N
XLogP4.21
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol (CID 166630812) is 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol is CCC(Cn1ccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol?
The InChIKey is JQRCRQFMLHQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-15(13-22-12-11-21-14-22)20(16-3-7-18(23)8-4-16)17-5-9-19(24)10-6-17/h3-12,14,23-24H,2,13H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol has a molecular weight of 320.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2-(imidazol-1-ylmethyl)but-1-enyl]phenol is sourced from PubChem (CID 166630812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).