3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol

C15H21N3O4 — CID 94946321

IUPAC3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
SMILESCCOc1ccc(OCc2c(CO)nnn2CCCO)cc1
InChIInChI=1S/C15H21N3O4/c1-2-21-12-4-6-13(7-5-12)22-11-15-14(10-20)16-17-18(15)8-3-9-19/h4-7,19-20H,2-3,8-11H2,1H3
InChIKeyRHBOAKWXWVQZOV-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.13
Rot. Bonds9

About 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol

3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol (PubChem CID 94946321) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
PubChem CID94946321
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
SMILESCCOc1ccc(OCc2c(CO)nnn2CCCO)cc1
InChIInChI=1S/C15H21N3O4/c1-2-21-12-4-6-13(7-5-12)22-11-15-14(10-20)16-17-18(15)8-3-9-19/h4-7,19-20H,2-3,8-11H2,1H3
InChIKeyRHBOAKWXWVQZOV-UHFFFAOYSA-N
XLogP1.13
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[(4-ethoxyphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208710
2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol
CID 82210031
3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol
CID 82211554
[5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208719
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
CID 94944971
2-[5-[(4-chlorophenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 94946248
[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol
CID 82209233
5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)triazole-4-carboxylic acid
CID 82209886
5-[(4-ethoxyphenoxy)methyl]-1-ethyltriazole-4-carbaldehyde
CID 82207379
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
2-[5-[(3-ethylphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206570

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol (CID 94946321) is 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol is CCOc1ccc(OCc2c(CO)nnn2CCCO)cc1.
What is the InChIKey of 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The InChIKey is RHBOAKWXWVQZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-2-21-12-4-6-13(7-5-12)22-11-15-14(10-20)16-17-18(15)8-3-9-19/h4-7,19-20H,2-3,8-11H2,1H3.
What are the key properties of 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol has a molecular weight of 307.35 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 94946321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).