[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol

C16H23N3O2 — CID 82199899

IUPAC[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-4-5-16-15(10-20)17-18-19(16)13-6-8-14(9-7-13)21-11-12(2)3/h6-9,12,20H,4-5,10-11H2,1-3H3
InChIKeyBWLNBUBIEFTJHR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.75
Rot. Bonds7

About [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol

[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol (PubChem CID 82199899) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
PubChem CID82199899
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-4-5-16-15(10-20)17-18-19(16)13-6-8-14(9-7-13)21-11-12(2)3/h6-9,12,20H,4-5,10-11H2,1-3H3
InChIKeyBWLNBUBIEFTJHR-UHFFFAOYSA-N
XLogP2.75
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
5-butyl-1-[4-(2-methylpropoxy)phenyl]triazole-4-carbaldehyde
CID 82199904
[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine
CID 82199923
1-[4-(2-methylpropoxy)phenyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 94940298
[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
CID 82196737
[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol
CID 82197597
[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
CID 82197872
[1-(4-butoxyphenyl)-5-pentan-3-yltriazol-4-yl]methanol
CID 94939967
[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
CID 94938513
1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine
CID 79501518
[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 125478406
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol?
The IUPAC name of [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol (CID 82199899) is [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol?
The canonical SMILES for [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol is CCCc1c(CO)nnn1-c1ccc(OCC(C)C)cc1.
What is the InChIKey of [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol?
The InChIKey is BWLNBUBIEFTJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-16-15(10-20)17-18-19(16)13-6-8-14(9-7-13)21-11-12(2)3/h6-9,12,20H,4-5,10-11H2,1-3H3.
What are the key properties of [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol?
[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol has a molecular weight of 289.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol is sourced from PubChem (CID 82199899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).