4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol

C16H13FN2O2 — CID 70667347

IUPAC4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1cnc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H13FN2O2/c1-21-15-8-12(20)6-7-13(15)14-9-18-16(19-14)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19)
InChIKeyYBWPJGNVABPPCZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.60
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol

4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol (PubChem CID 70667347) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol
PubChem CID70667347
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1cnc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H13FN2O2/c1-21-15-8-12(20)6-7-13(15)14-9-18-16(19-14)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19)
InChIKeyYBWPJGNVABPPCZ-UHFFFAOYSA-N
XLogP3.60
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol?
The IUPAC name of 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol (CID 70667347) is 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol?
The canonical SMILES for 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol is COc1cc(O)ccc1-c1cnc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol?
The InChIKey is YBWPJGNVABPPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-15-8-12(20)6-7-13(15)14-9-18-16(19-14)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19).
What are the key properties of 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol?
4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol has a molecular weight of 284.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol is sourced from PubChem (CID 70667347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).