1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione

C18H13Cl3N2O4 — CID 56925898

IUPAC1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOc2cc(Cl)cc(Cl)c2Oc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C18H13Cl3N2O4/c19-11-9-13(21)17(27-14-4-2-1-3-12(14)20)15(10-11)26-8-7-23-6-5-16(24)22-18(23)25/h1-6,9-10H,7-8H2,(H,22,24,25)
InChIKeyIVJBKRFWINFJSY-UHFFFAOYSA-N
MW427.67 g/mol
LogP4.37
Rot. Bonds6

About 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione

1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione (PubChem CID 56925898) has the molecular formula C18H13Cl3N2O4 and a molecular weight of 427.67 g/mol. Its IUPAC name is 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione
PubChem CID56925898
Molecular FormulaC18H13Cl3N2O4
Molecular Weight427.67 g/mol
Exact Mass425.99
IUPAC Name1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOc2cc(Cl)cc(Cl)c2Oc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C18H13Cl3N2O4/c19-11-9-13(21)17(27-14-4-2-1-3-12(14)20)15(10-11)26-8-7-23-6-5-16(24)22-18(23)25/h1-6,9-10H,7-8H2,(H,22,24,25)
InChIKeyIVJBKRFWINFJSY-UHFFFAOYSA-N
XLogP4.37
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.67
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione (CID 56925898) is 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione is O=c1ccn(CCOc2cc(Cl)cc(Cl)c2Oc2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione?
The InChIKey is IVJBKRFWINFJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O4/c19-11-9-13(21)17(27-14-4-2-1-3-12(14)20)15(10-11)26-8-7-23-6-5-16(24)22-18(23)25/h1-6,9-10H,7-8H2,(H,22,24,25).
What are the key properties of 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione?
1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 427.67 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-dichloro-2-(2-chlorophenoxy)phenoxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56925898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).