1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

C14H16Cl2N2O2 — CID 3152400

IUPAC1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N2O2/c1-9-5-10(2)18(17-9)7-12(19)8-20-14-4-3-11(15)6-13(14)16/h3-6,12,19H,7-8H2,1-2H3
InChIKeyKVOFLDCYFQEUDD-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.25
Rot. Bonds5

About 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 3152400) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID3152400
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N2O2/c1-9-5-10(2)18(17-9)7-12(19)8-20-14-4-3-11(15)6-13(14)16/h3-6,12,19H,7-8H2,1-2H3
InChIKeyKVOFLDCYFQEUDD-UHFFFAOYSA-N
XLogP3.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 3152400) is 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(CC(O)COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is KVOFLDCYFQEUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-9-5-10(2)18(17-9)7-12(19)8-20-14-4-3-11(15)6-13(14)16/h3-6,12,19H,7-8H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 315.20 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 3152400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).