[4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol

C17H15FN2O2 — CID 166967205

IUPAC[4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol
SMILESCc1ccccc1Oc1cc(C(O)c2ncc[nH]2)ccc1F
InChIInChI=1S/C17H15FN2O2/c1-11-4-2-3-5-14(11)22-15-10-12(6-7-13(15)18)16(21)17-19-8-9-20-17/h2-10,16,21H,1H3,(H,19,20)
InChIKeyVAQSOXOVYKAGRT-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.73
Rot. Bonds4

About [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol

[4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol (PubChem CID 166967205) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol
PubChem CID166967205
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name[4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol
SMILESCc1ccccc1Oc1cc(C(O)c2ncc[nH]2)ccc1F
InChIInChI=1S/C17H15FN2O2/c1-11-4-2-3-5-14(11)22-15-10-12(6-7-13(15)18)16(21)17-19-8-9-20-17/h2-10,16,21H,1H3,(H,19,20)
InChIKeyVAQSOXOVYKAGRT-UHFFFAOYSA-N
XLogP3.73
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Lepidine D
CID 100927766
Lepidine B
CID 100927764
Lepidine C
CID 100927765
1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-{4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy}propan-2-ol
CID 13621752
3-[3,4-Dimethoxyphenylethylamino]-2-hydroxy-1-[4-[2-imidazolylmethoxymethyl]phenoxy]propane
CID 13621772
1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-{4-[(1H-imidazol-2-yl)methoxy]phenoxy}propan-2-ol
CID 13621774
2-(3-(2-((1H-Imidazol-2-yl)methyl)-6-methoxyphenoxy)benzyl)-1H-imidazole
CID 131751423
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157371
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157374
1-{4-[2-(5-Bromo-1H-imidazol-2-yl)ethyl]phenoxy}-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propan-2-ol
CID 13621767
(R)-2-(2-Ethyl-2,3-dihydrobenzofuran-2-yl)-1H-imidazole
CID 6604823
2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride
CID 44537337

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol?
The IUPAC name of [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol (CID 166967205) is [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol?
The canonical SMILES for [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol is Cc1ccccc1Oc1cc(C(O)c2ncc[nH]2)ccc1F.
What is the InChIKey of [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol?
The InChIKey is VAQSOXOVYKAGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-4-2-3-5-14(11)22-15-10-12(6-7-13(15)18)16(21)17-19-8-9-20-17/h2-10,16,21H,1H3,(H,19,20).
What are the key properties of [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol?
[4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol has a molecular weight of 298.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 166967205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).