1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol

C17H15Cl2N3O2 — CID 175114799

IUPAC1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccc(Oc2ccc(Cl)cc2)cc1Cl)Cn1cncn1
InChIInChI=1S/C17H15Cl2N3O2/c18-13-2-5-15(6-3-13)24-16-4-1-12(17(19)8-16)7-14(23)9-22-11-20-10-21-22/h1-6,8,10-11,14,23H,7,9H2
InChIKeyNYTKIEAKRJKUSH-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.98
Rot. Bonds6

About 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol

1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 175114799) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID175114799
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccc(Oc2ccc(Cl)cc2)cc1Cl)Cn1cncn1
InChIInChI=1S/C17H15Cl2N3O2/c18-13-2-5-15(6-3-13)24-16-4-1-12(17(19)8-16)7-14(23)9-22-11-20-10-21-22/h1-6,8,10-11,14,23H,7,9H2
InChIKeyNYTKIEAKRJKUSH-UHFFFAOYSA-N
XLogP3.98
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 175114799) is 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cc1ccc(Oc2ccc(Cl)cc2)cc1Cl)Cn1cncn1.
What is the InChIKey of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is NYTKIEAKRJKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-13-2-5-15(6-3-13)24-16-4-1-12(17(19)8-16)7-14(23)9-22-11-20-10-21-22/h1-6,8,10-11,14,23H,7,9H2.
What are the key properties of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 364.23 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 175114799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).