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

C18H15Cl2NO4 — CID 18803869

IUPAC6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
SMILESCc1cccc(OCCn2c(=O)oc(=O)c3cc(Cl)cc(Cl)c32)c1C
InChIInChI=1S/C18H15Cl2NO4/c1-10-4-3-5-15(11(10)2)24-7-6-21-16-13(17(22)25-18(21)23)8-12(19)9-14(16)20/h3-5,8-9H,6-7H2,1-2H3
InChIKeyJEYASDSUPJBVFS-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.96
Rot. Bonds4

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

6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione (PubChem CID 18803869) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is 6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
PubChem CID18803869
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
SMILESCc1cccc(OCCn2c(=O)oc(=O)c3cc(Cl)cc(Cl)c32)c1C
InChIInChI=1S/C18H15Cl2NO4/c1-10-4-3-5-15(11(10)2)24-7-6-21-16-13(17(22)25-18(21)23)8-12(19)9-14(16)20/h3-5,8-9H,6-7H2,1-2H3
InChIKeyJEYASDSUPJBVFS-UHFFFAOYSA-N
XLogP3.96
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803871
6-bromo-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18802931
1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione
CID 18803337
1-[4-(2,3-dimethylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802307
8-chloro-1-[2-(3-methylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803591
8-bromo-1-[2-(2,6-dimethylphenoxy)ethyl]-6-methyl-3,1-benzoxazine-2,4-dione
CID 18802690
6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione
CID 18803121
8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803593
8-bromo-1-[4-(2,3-dichlorophenoxy)butyl]-6-methyl-3,1-benzoxazine-2,4-dione
CID 18802724
7-chloro-1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione
CID 18803529
1-[2-(4-bromophenoxy)ethyl]-8-chloro-3,1-benzoxazine-2,4-dione
CID 18803605
1-[4-(2,6-dimethylphenoxy)butyl]-8-methyl-3,1-benzoxazine-2,4-dione
CID 18803377

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione (CID 18803869) is 6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione is Cc1cccc(OCCn2c(=O)oc(=O)c3cc(Cl)cc(Cl)c32)c1C.
What is the InChIKey of 6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
The InChIKey is JEYASDSUPJBVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-10-4-3-5-15(11(10)2)24-7-6-21-16-13(17(22)25-18(21)23)8-12(19)9-14(16)20/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione has a molecular weight of 380.23 g/mol, XLogP of 3.96, 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-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 18803869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).