1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol

C13H16ClN3O2 — CID 105109087

IUPAC1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCn1ncnc1CC(O)COc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c1-2-17-13(15-9-16-17)7-11(18)8-19-12-5-3-4-10(14)6-12/h3-6,9,11,18H,2,7-8H2,1H3
InChIKeyCJKNATTVXIXWRI-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.93
Rot. Bonds6

About 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol

1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 105109087) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID105109087
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCn1ncnc1CC(O)COc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c1-2-17-13(15-9-16-17)7-11(18)8-19-12-5-3-4-10(14)6-12/h3-6,9,11,18H,2,7-8H2,1H3
InChIKeyCJKNATTVXIXWRI-UHFFFAOYSA-N
XLogP1.93
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
CID 105098116
1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 105082685
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 105088994
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
1-(3-chlorophenyl)sulfanyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66146421
1-(3-chlorophenoxy)undecan-2-ol
CID 105084879
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylethanamine
CID 105182828
3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107078
1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 66087361

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol (CID 105109087) is 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol is CCn1ncnc1CC(O)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is CJKNATTVXIXWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-2-17-13(15-9-16-17)7-11(18)8-19-12-5-3-4-10(14)6-12/h3-6,9,11,18H,2,7-8H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol?
1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 281.74 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 105109087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).