9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol

C18H26FN3O2 — CID 68559084

IUPAC9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol
SMILESCCC(C)C(O)C(CCCCOc1ccccc1F)n1cncn1
InChIInChI=1S/C18H26FN3O2/c1-3-14(2)18(23)16(22-13-20-12-21-22)9-6-7-11-24-17-10-5-4-8-15(17)19/h4-5,8,10,12-14,16,18,23H,3,6-7,9,11H2,1-2H3
InChIKeyOSRDYXYMQJVLNN-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.61
Rot. Bonds10

About 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol

9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol (PubChem CID 68559084) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol.

Molecular Properties

Compound Name9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol
PubChem CID68559084
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol
SMILESCCC(C)C(O)C(CCCCOc1ccccc1F)n1cncn1
InChIInChI=1S/C18H26FN3O2/c1-3-14(2)18(23)16(22-13-20-12-21-22)9-6-7-11-24-17-10-5-4-8-15(17)19/h4-5,8,10,12-14,16,18,23H,3,6-7,9,11H2,1-2H3
InChIKeyOSRDYXYMQJVLNN-UHFFFAOYSA-N
XLogP3.61
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol?
The IUPAC name of 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol (CID 68559084) is 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol.
What is the SMILES notation for 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol?
The canonical SMILES for 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol is CCC(C)C(O)C(CCCCOc1ccccc1F)n1cncn1.
What is the InChIKey of 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol?
The InChIKey is OSRDYXYMQJVLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-3-14(2)18(23)16(22-13-20-12-21-22)9-6-7-11-24-17-10-5-4-8-15(17)19/h4-5,8,10,12-14,16,18,23H,3,6-7,9,11H2,1-2H3.
What are the key properties of 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol?
9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol has a molecular weight of 335.42 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenoxy)-3-methyl-5-(1,2,4-triazol-1-yl)nonan-4-ol is sourced from PubChem (CID 68559084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).