2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol

C16H21N3O3 — CID 155962583

IUPAC2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol
SMILESCc1ccccc1-n1cc(CCC2(CCO)OCCO2)nn1
InChIInChI=1S/C16H21N3O3/c1-13-4-2-3-5-15(13)19-12-14(17-18-19)6-7-16(8-9-20)21-10-11-22-16/h2-5,12,20H,6-11H2,1H3
InChIKeyDYRIWTLCIMOKFV-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.63
Rot. Bonds6

About 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol

2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol (PubChem CID 155962583) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol
PubChem CID155962583
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol
SMILESCc1ccccc1-n1cc(CCC2(CCO)OCCO2)nn1
InChIInChI=1S/C16H21N3O3/c1-13-4-2-3-5-15(13)19-12-14(17-18-19)6-7-16(8-9-20)21-10-11-22-16/h2-5,12,20H,6-11H2,1H3
InChIKeyDYRIWTLCIMOKFV-UHFFFAOYSA-N
XLogP1.63
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(bromomethyl)-1-(2-methylphenyl)triazole
CID 62401939
1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine
CID 117167503
2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol
CID 107627317
2,2-dimethyl-3-[1-(2-methylphenyl)triazol-4-yl]propanoic acid
CID 117167549
2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol
CID 163509573
2-[1-[2-methyl-5-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 66476996
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol
CID 62402019
4-(chloromethyl)-1-(2-chloro-3-methylphenyl)triazole
CID 130495737
2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol
CID 116817752
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390
N-methyl-N-[[1-(2-methylphenyl)triazol-4-yl]methyl]-2-(3,3,3-trifluoropropyl)benzamide
CID 154878346

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol?
The IUPAC name of 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol (CID 155962583) is 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol.
What is the SMILES notation for 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol?
The canonical SMILES for 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol is Cc1ccccc1-n1cc(CCC2(CCO)OCCO2)nn1.
What is the InChIKey of 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol?
The InChIKey is DYRIWTLCIMOKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-13-4-2-3-5-15(13)19-12-14(17-18-19)6-7-16(8-9-20)21-10-11-22-16/h2-5,12,20H,6-11H2,1H3.
What are the key properties of 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol?
2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol has a molecular weight of 303.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol is sourced from PubChem (CID 155962583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).