2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol

C13H15Cl3O3 — CID 107942525

IUPAC2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3O3/c1-2-3-18-13-10(17)6-11(13)19-12-8(15)4-7(14)5-9(12)16/h4-5,10-11,13,17H,2-3,6H2,1H3
InChIKeyCJROMAZAOFPCMD-UHFFFAOYSA-N
MW325.62 g/mol
LogP3.95
Rot. Bonds5

About 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol

2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol (PubChem CID 107942525) has the molecular formula C13H15Cl3O3 and a molecular weight of 325.62 g/mol. Its IUPAC name is 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol
PubChem CID107942525
Molecular FormulaC13H15Cl3O3
Molecular Weight325.62 g/mol
Exact Mass324.01
IUPAC Name2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3O3/c1-2-3-18-13-10(17)6-11(13)19-12-8(15)4-7(14)5-9(12)16/h4-5,10-11,13,17H,2-3,6H2,1H3
InChIKeyCJROMAZAOFPCMD-UHFFFAOYSA-N
XLogP3.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol?
The IUPAC name of 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol (CID 107942525) is 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol?
The canonical SMILES for 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol is CCCOC1C(O)CC1Oc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol?
The InChIKey is CJROMAZAOFPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3O3/c1-2-3-18-13-10(17)6-11(13)19-12-8(15)4-7(14)5-9(12)16/h4-5,10-11,13,17H,2-3,6H2,1H3.
What are the key properties of 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol?
2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol has a molecular weight of 325.62 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol is sourced from PubChem (CID 107942525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).