2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol

C14H17Cl2N3O2 — CID 89492984

IUPAC2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol
SMILESCCC(CO)OC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c1-2-11(7-20)21-14(6-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11,14,20H,2,6-7H2,1H3
InChIKeyRZBZEELZVYYEHK-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.11
Rot. Bonds7

About 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol

2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol (PubChem CID 89492984) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol
PubChem CID89492984
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.21 g/mol
Exact Mass329.07
IUPAC Name2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol
SMILESCCC(CO)OC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c1-2-11(7-20)21-14(6-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11,14,20H,2,6-7H2,1H3
InChIKeyRZBZEELZVYYEHK-UHFFFAOYSA-N
XLogP3.11
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-ethoxyethyl]-1,2,4-triazole;nitric acid
CID 70453630
1-[2-(2,4-dichlorophenyl)-2-hexoxyethyl]-1,2,4-triazole;nitric acid
CID 70453675
2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 23634981
1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole
CID 58921762
1-[2-(2,4-dichlorophenyl)-4-methylpentyl]-1,2,4-triazole;nitric acid
CID 70453532
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-methoxy-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175119134
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70382628
3-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propoxy]propanenitrile
CID 10568043
1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)propyl]-1,2,4-triazole;nitric acid
CID 70453607
1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-methylbutyl]-1,2,4-triazole
CID 141401104
N-[1-(2,4-dichlorophenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24629761
1-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazole;nitric acid
CID 70453538

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol (CID 89492984) is 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol is CCC(CO)OC(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol?
The InChIKey is RZBZEELZVYYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-2-11(7-20)21-14(6-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11,14,20H,2,6-7H2,1H3.
What are the key properties of 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol?
2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol has a molecular weight of 330.21 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol is sourced from PubChem (CID 89492984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).