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

C18H16N2O2 — CID 166629324

IUPAC4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol
SMILESCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cnc[nH]1
InChIInChI=1S/C18H16N2O2/c1-12(17-10-19-11-20-17)18(13-2-6-15(21)7-3-13)14-4-8-16(22)9-5-14/h2-11,21-22H,1H3,(H,19,20)
InChIKeyNYFIMYJVLJJHOI-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.80
Rot. Bonds3

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

4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol (PubChem CID 166629324) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol
PubChem CID166629324
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol
SMILESCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cnc[nH]1
InChIInChI=1S/C18H16N2O2/c1-12(17-10-19-11-20-17)18(13-2-6-15(21)7-3-13)14-4-8-16(22)9-5-14/h2-11,21-22H,1H3,(H,19,20)
InChIKeyNYFIMYJVLJJHOI-UHFFFAOYSA-N
XLogP3.80
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol (CID 166629324) is 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol is CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cnc[nH]1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol?
The InChIKey is NYFIMYJVLJJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(17-10-19-11-20-17)18(13-2-6-15(21)7-3-13)14-4-8-16(22)9-5-14/h2-11,21-22H,1H3,(H,19,20).
What are the key properties of 4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol has a molecular weight of 292.34 g/mol, XLogP of 3.80, 3 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)prop-1-enyl]phenol is sourced from PubChem (CID 166629324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).