(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol

C13H16FN3O2 — CID 114685101

IUPAC(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3O2/c1-3-6-17-11(8-15-16-17)13(18)9-4-5-12(19-2)10(14)7-9/h4-5,7-8,13,18H,3,6H2,1-2H3
InChIKeyRJUZPLURYSXMHZ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.92
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol

(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 114685101) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
PubChem CID114685101
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3O2/c1-3-6-17-11(8-15-16-17)13(18)9-4-5-12(19-2)10(14)7-9/h4-5,7-8,13,18H,3,6H2,1-2H3
InChIKeyRJUZPLURYSXMHZ-UHFFFAOYSA-N
XLogP1.92
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 115834072
(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
(7-methoxy-1,3-benzodioxol-5-yl)-(3-propyltriazol-4-yl)methanol
CID 114685479
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684884
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol (CID 114685101) is (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1ccc(OC)c(F)c1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is RJUZPLURYSXMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-3-6-17-11(8-15-16-17)13(18)9-4-5-12(19-2)10(14)7-9/h4-5,7-8,13,18H,3,6H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol?
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 265.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 114685101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).