4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol

C15H21N3O2 — CID 112717061

IUPAC4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
SMILESCCC(Cc1cn(CC)nn1)c1ccc(O)c(CO)c1
InChIInChI=1S/C15H21N3O2/c1-3-11(8-14-9-18(4-2)17-16-14)12-5-6-15(20)13(7-12)10-19/h5-7,9,11,19-20H,3-4,8,10H2,1-2H3
InChIKeyGJCKXJGLQPPDNX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.23
Rot. Bonds6

About 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol

4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol (PubChem CID 112717061) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
PubChem CID112717061
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
SMILESCCC(Cc1cn(CC)nn1)c1ccc(O)c(CO)c1
InChIInChI=1S/C15H21N3O2/c1-3-11(8-14-9-18(4-2)17-16-14)12-5-6-15(20)13(7-12)10-19/h5-7,9,11,19-20H,3-4,8,10H2,1-2H3
InChIKeyGJCKXJGLQPPDNX-UHFFFAOYSA-N
XLogP2.23
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
CID 112718351
4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol
CID 112717063
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-ethyltriazole
CID 112717193
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076
1-ethyl-4-[2-(3-methylsulfonylphenyl)butyl]triazole
CID 112717690
1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole
CID 112717704
4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
CID 112718097
4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
CID 112718136
2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol
CID 23391465
3-[4-hydroxy-3-(hydroxymethyl)phenyl]pentanoic acid
CID 83949673

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol (CID 112717061) is 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol is CCC(Cc1cn(CC)nn1)c1ccc(O)c(CO)c1.
What is the InChIKey of 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol?
The InChIKey is GJCKXJGLQPPDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-11(8-14-9-18(4-2)17-16-14)12-5-6-15(20)13(7-12)10-19/h5-7,9,11,19-20H,3-4,8,10H2,1-2H3.
What are the key properties of 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol?
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol has a molecular weight of 275.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 112717061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).