2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol

C19H26FN3O2 — CID 134374561

IUPAC2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol
SMILESCCCc1cnnn1CC(O)(CC)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H26FN3O2/c1-3-5-16-11-21-22-23(16)13-19(24,4-2)15-8-9-17(20)18(10-15)25-12-14-6-7-14/h8-11,14,24H,3-7,12-13H2,1-2H3
InChIKeyILOWFBSDPHTJAK-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.46
Rot. Bonds9

About 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol

2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol (PubChem CID 134374561) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol
PubChem CID134374561
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol
SMILESCCCc1cnnn1CC(O)(CC)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H26FN3O2/c1-3-5-16-11-21-22-23(16)13-19(24,4-2)15-8-9-17(20)18(10-15)25-12-14-6-7-14/h8-11,14,24H,3-7,12-13H2,1-2H3
InChIKeyILOWFBSDPHTJAK-UHFFFAOYSA-N
XLogP3.46
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol?
The IUPAC name of 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol (CID 134374561) is 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol is CCCc1cnnn1CC(O)(CC)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol?
The InChIKey is ILOWFBSDPHTJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-5-16-11-21-22-23(16)13-19(24,4-2)15-8-9-17(20)18(10-15)25-12-14-6-7-14/h8-11,14,24H,3-7,12-13H2,1-2H3.
What are the key properties of 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol?
2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol has a molecular weight of 347.43 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol is sourced from PubChem (CID 134374561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).