1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol

C24H25FN2O2 — CID 163483086

IUPAC1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol
SMILESC=C(O)c1ccc(-c2nc(CC(C)C)cnc2-c2cc(C)c(OC)c(F)c2)cc1
InChIInChI=1S/C24H25FN2O2/c1-14(2)10-20-13-26-22(19-11-15(3)24(29-5)21(25)12-19)23(27-20)18-8-6-17(7-9-18)16(4)28/h6-9,11-14,28H,4,10H2,1-3,5H3
InChIKeyCGGARRVLYXQNJH-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.99
Rot. Bonds6

About 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol

1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol (PubChem CID 163483086) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol.

Molecular Properties

Compound Name1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol
PubChem CID163483086
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol
SMILESC=C(O)c1ccc(-c2nc(CC(C)C)cnc2-c2cc(C)c(OC)c(F)c2)cc1
InChIInChI=1S/C24H25FN2O2/c1-14(2)10-20-13-26-22(19-11-15(3)24(29-5)21(25)12-19)23(27-20)18-8-6-17(7-9-18)16(4)28/h6-9,11-14,28H,4,10H2,1-3,5H3
InChIKeyCGGARRVLYXQNJH-UHFFFAOYSA-N
XLogP5.99
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol?
The IUPAC name of 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol (CID 163483086) is 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol.
What is the SMILES notation for 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol?
The canonical SMILES for 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol is C=C(O)c1ccc(-c2nc(CC(C)C)cnc2-c2cc(C)c(OC)c(F)c2)cc1.
What is the InChIKey of 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol?
The InChIKey is CGGARRVLYXQNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-14(2)10-20-13-26-22(19-11-15(3)24(29-5)21(25)12-19)23(27-20)18-8-6-17(7-9-18)16(4)28/h6-9,11-14,28H,4,10H2,1-3,5H3.
What are the key properties of 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol?
1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol has a molecular weight of 392.47 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-fluoro-4-methoxy-5-methylphenyl)-6-(2-methylpropyl)pyrazin-2-yl]phenyl]ethenol is sourced from PubChem (CID 163483086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).