2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol

C14H17N3O3 — CID 104675458

IUPAC2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol
SMILESCCOC1C(O)CC1Oc1ncn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O3/c1-2-19-13-11(18)8-12(13)20-14-15-9-17(16-14)10-6-4-3-5-7-10/h3-7,9,11-13,18H,2,8H2,1H3
InChIKeyMSRKIMAVALDPNZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.18
Rot. Bonds5

About 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol

2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol (PubChem CID 104675458) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol
PubChem CID104675458
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol
SMILESCCOC1C(O)CC1Oc1ncn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O3/c1-2-19-13-11(18)8-12(13)20-14-15-9-17(16-14)10-6-4-3-5-7-10/h3-7,9,11-13,18H,2,8H2,1H3
InChIKeyMSRKIMAVALDPNZ-UHFFFAOYSA-N
XLogP1.18
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol?
The IUPAC name of 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol (CID 104675458) is 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol.
What is the SMILES notation for 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol?
The canonical SMILES for 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol is CCOC1C(O)CC1Oc1ncn(-c2ccccc2)n1.
What is the InChIKey of 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol?
The InChIKey is MSRKIMAVALDPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-19-13-11(18)8-12(13)20-14-15-9-17(16-14)10-6-4-3-5-7-10/h3-7,9,11-13,18H,2,8H2,1H3.
What are the key properties of 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol?
2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol has a molecular weight of 275.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-ol is sourced from PubChem (CID 104675458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).