6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione

C16H10Cl3NO4 — CID 18803871

IUPAC6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CCOc2ccc(Cl)cc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H10Cl3NO4/c17-9-1-3-11(4-2-9)23-6-5-20-14-12(15(21)24-16(20)22)7-10(18)8-13(14)19/h1-4,7-8H,5-6H2
InChIKeyJHPZAPXZHAZJIF-UHFFFAOYSA-N
MW386.62 g/mol
LogP3.99
Rot. Bonds4

About 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione

6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione (PubChem CID 18803871) has the molecular formula C16H10Cl3NO4 and a molecular weight of 386.62 g/mol. Its IUPAC name is 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione
PubChem CID18803871
Molecular FormulaC16H10Cl3NO4
Molecular Weight386.62 g/mol
Exact Mass384.97
IUPAC Name6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CCOc2ccc(Cl)cc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H10Cl3NO4/c17-9-1-3-11(4-2-9)23-6-5-20-14-12(15(21)24-16(20)22)7-10(18)8-13(14)19/h1-4,7-8H,5-6H2
InChIKeyJHPZAPXZHAZJIF-UHFFFAOYSA-N
XLogP3.99
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3755913
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CID 1314763
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CID 155529311
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CID 76311643
CID 76311643
CID 76329732
CID 76329732
CID 22521478
CID 22521478
CID 171788011
CID 171788011
CID 110635087
CID 110635087
CID 1107047
CID 1107047
CID 11522409
CID 11522409
CID 54011991
CID 54011991
CID 54115167
CID 54115167

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione (CID 18803871) is 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(CCOc2ccc(Cl)cc2)c2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
The InChIKey is JHPZAPXZHAZJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO4/c17-9-1-3-11(4-2-9)23-6-5-20-14-12(15(21)24-16(20)22)7-10(18)8-13(14)19/h1-4,7-8H,5-6H2.
What are the key properties of 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione has a molecular weight of 386.62 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 18803871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).