[3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

C15H16F4N2O2 — CID 170707373

IUPAC[3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCOc1c(CO)ccc(-c2nc(C(F)(F)F)cn2C(C)C)c1F
InChIInChI=1S/C15H16F4N2O2/c1-8(2)21-6-11(15(17,18)19)20-14(21)10-5-4-9(7-22)13(23-3)12(10)16/h4-6,8,22H,7H2,1-3H3
InChIKeySOIUZCUPOYFKMP-UHFFFAOYSA-N
MW332.30 g/mol
LogP3.79
Rot. Bonds4

About [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

[3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (PubChem CID 170707373) has the molecular formula C15H16F4N2O2 and a molecular weight of 332.30 g/mol. Its IUPAC name is [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
PubChem CID170707373
Molecular FormulaC15H16F4N2O2
Molecular Weight332.30 g/mol
Exact Mass332.11
IUPAC Name[3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCOc1c(CO)ccc(-c2nc(C(F)(F)F)cn2C(C)C)c1F
InChIInChI=1S/C15H16F4N2O2/c1-8(2)21-6-11(15(17,18)19)20-14(21)10-5-4-9(7-22)13(23-3)12(10)16/h4-6,8,22H,7H2,1-3H3
InChIKeySOIUZCUPOYFKMP-UHFFFAOYSA-N
XLogP3.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (CID 170707373) is [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is COc1c(CO)ccc(-c2nc(C(F)(F)F)cn2C(C)C)c1F.
What is the InChIKey of [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The InChIKey is SOIUZCUPOYFKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2O2/c1-8(2)21-6-11(15(17,18)19)20-14(21)10-5-4-9(7-22)13(23-3)12(10)16/h4-6,8,22H,7H2,1-3H3.
What are the key properties of [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
[3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol has a molecular weight of 332.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 170707373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).