1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol

C15H19N3O2 — CID 109415856

IUPAC1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol
SMILESOC1(COc2ccc(-n3cncn3)cc2)CCCCC1
InChIInChI=1S/C15H19N3O2/c19-15(8-2-1-3-9-15)10-20-14-6-4-13(5-7-14)18-12-16-11-17-18/h4-7,11-12,19H,1-3,8-10H2
InChIKeyAJRXKOOUTURWIY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.34
Rot. Bonds4

About 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol

1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol (PubChem CID 109415856) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol
PubChem CID109415856
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol
SMILESOC1(COc2ccc(-n3cncn3)cc2)CCCCC1
InChIInChI=1S/C15H19N3O2/c19-15(8-2-1-3-9-15)10-20-14-6-4-13(5-7-14)18-12-16-11-17-18/h4-7,11-12,19H,1-3,8-10H2
InChIKeyAJRXKOOUTURWIY-UHFFFAOYSA-N
XLogP2.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866385
1-(4-butoxyphenyl)-1,2,4-triazole
CID 11458616
1-(4-cyclohexyloxyphenyl)-1,2,4-triazole
CID 86214626
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol
CID 166350645
4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde
CID 65210804
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55732144
1-[(4-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212692
2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine
CID 89258514
[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine
CID 117394631
2-(4-propan-2-ylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25471828

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol (CID 109415856) is 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol is OC1(COc2ccc(-n3cncn3)cc2)CCCCC1.
What is the InChIKey of 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is AJRXKOOUTURWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(8-2-1-3-9-15)10-20-14-6-4-13(5-7-14)18-12-16-11-17-18/h4-7,11-12,19H,1-3,8-10H2.
What are the key properties of 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol?
1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 109415856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).