2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol

C16H17N3O2 — CID 167904656

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol
SMILESCC(O)c1cn(CC(O)c2ccc3ccccc3c2)nn1
InChIInChI=1S/C16H17N3O2/c1-11(20)15-9-19(18-17-15)10-16(21)14-7-6-12-4-2-3-5-13(12)8-14/h2-9,11,16,20-21H,10H2,1H3
InChIKeyYCRYJHNRBJWXOV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds4

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol

2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol (PubChem CID 167904656) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol
PubChem CID167904656
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol
SMILESCC(O)c1cn(CC(O)c2ccc3ccccc3c2)nn1
InChIInChI=1S/C16H17N3O2/c1-11(20)15-9-19(18-17-15)10-16(21)14-7-6-12-4-2-3-5-13(12)8-14/h2-9,11,16,20-21H,10H2,1H3
InChIKeyYCRYJHNRBJWXOV-UHFFFAOYSA-N
XLogP2.22
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol
CID 134157197
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol
CID 81443893
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
CID 81444678
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol
CID 167807603
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
(1S)-1-naphthalen-2-yl-2-tri(propan-2-yl)silyloxyethanol
CID 10736263
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 122241163
1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one
CID 80580603

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol (CID 167904656) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol is CC(O)c1cn(CC(O)c2ccc3ccccc3c2)nn1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol?
The InChIKey is YCRYJHNRBJWXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(20)15-9-19(18-17-15)10-16(21)14-7-6-12-4-2-3-5-13(12)8-14/h2-9,11,16,20-21H,10H2,1H3.
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol?
2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol has a molecular weight of 283.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)triazol-1-yl]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 167904656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).