3-chloronaphtho[2,3-c]dioxete-4,8-diol

C10H5ClO4 — CID 141499928

IUPAC3-chloronaphtho[2,3-c]dioxete-4,8-diol
SMILESOc1c2cccc(O)c2c(Cl)c2ooc12
InChIInChI=1S/C10H5ClO4/c11-7-6-4(2-1-3-5(6)12)8(13)10-9(7)14-15-10/h1-3,12-13H
InChIKeyQIINHELXYZGPOZ-UHFFFAOYSA-N
MW224.60 g/mol
LogP3.24
Rot. Bonds

About 3-chloronaphtho[2,3-c]dioxete-4,8-diol

3-chloronaphtho[2,3-c]dioxete-4,8-diol (PubChem CID 141499928) has the molecular formula C10H5ClO4 and a molecular weight of 224.60 g/mol. Its IUPAC name is 3-chloronaphtho[2,3-c]dioxete-4,8-diol.

Molecular Properties

Compound Name3-chloronaphtho[2,3-c]dioxete-4,8-diol
PubChem CID141499928
Molecular FormulaC10H5ClO4
Molecular Weight224.60 g/mol
Exact Mass223.99
IUPAC Name3-chloronaphtho[2,3-c]dioxete-4,8-diol
SMILESOc1c2cccc(O)c2c(Cl)c2ooc12
InChIInChI=1S/C10H5ClO4/c11-7-6-4(2-1-3-5(6)12)8(13)10-9(7)14-15-10/h1-3,12-13H
InChIKeyQIINHELXYZGPOZ-UHFFFAOYSA-N
XLogP3.24
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloronaphtho[2,3-c]dioxete-4,8-diol?
The IUPAC name of 3-chloronaphtho[2,3-c]dioxete-4,8-diol (CID 141499928) is 3-chloronaphtho[2,3-c]dioxete-4,8-diol.
What is the SMILES notation for 3-chloronaphtho[2,3-c]dioxete-4,8-diol?
The canonical SMILES for 3-chloronaphtho[2,3-c]dioxete-4,8-diol is Oc1c2cccc(O)c2c(Cl)c2ooc12.
What is the InChIKey of 3-chloronaphtho[2,3-c]dioxete-4,8-diol?
The InChIKey is QIINHELXYZGPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClO4/c11-7-6-4(2-1-3-5(6)12)8(13)10-9(7)14-15-10/h1-3,12-13H.
What are the key properties of 3-chloronaphtho[2,3-c]dioxete-4,8-diol?
3-chloronaphtho[2,3-c]dioxete-4,8-diol has a molecular weight of 224.60 g/mol, XLogP of 3.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloronaphtho[2,3-c]dioxete-4,8-diol is sourced from PubChem (CID 141499928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).