5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one

C10H7Cl2NO3 — CID 504664

IUPAC5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one
SMILESCCOc1nc2c(Cl)ccc(Cl)c2c(=O)o1
InChIInChI=1S/C10H7Cl2NO3/c1-2-15-10-13-8-6(12)4-3-5(11)7(8)9(14)16-10/h3-4H,2H2,1H3
InChIKeyMTCHUPSYKUKIOI-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.89
Rot. Bonds2

About 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one

5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one (PubChem CID 504664) has the molecular formula C10H7Cl2NO3 and a molecular weight of 260.08 g/mol. Its IUPAC name is 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one
PubChem CID504664
Molecular FormulaC10H7Cl2NO3
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one
SMILESCCOc1nc2c(Cl)ccc(Cl)c2c(=O)o1
InChIInChI=1S/C10H7Cl2NO3/c1-2-15-10-13-8-6(12)4-3-5(11)7(8)9(14)16-10/h3-4H,2H2,1H3
InChIKeyMTCHUPSYKUKIOI-UHFFFAOYSA-N
XLogP2.89
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one?
The IUPAC name of 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one (CID 504664) is 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one?
The canonical SMILES for 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one is CCOc1nc2c(Cl)ccc(Cl)c2c(=O)o1.
What is the InChIKey of 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one?
The InChIKey is MTCHUPSYKUKIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3/c1-2-15-10-13-8-6(12)4-3-5(11)7(8)9(14)16-10/h3-4H,2H2,1H3.
What are the key properties of 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one?
5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one has a molecular weight of 260.08 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 504664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).