3,7-dichlorodibenzo-p-dioxin-2-ol

C12H6Cl2O3 — CID 86215842

IUPAC3,7-dichlorodibenzo-p-dioxin-2-ol
SMILESOc1cc2c(cc1Cl)Oc1cc(Cl)ccc1O2
InChIInChI=1S/C12H6Cl2O3/c13-6-1-2-9-10(3-6)17-11-4-7(14)8(15)5-12(11)16-9/h1-5,15H
InChIKeyBJJVISVGCULTEI-UHFFFAOYSA-N
MW269.08 g/mol
LogP4.60
Rot. Bonds

About 3,7-dichlorodibenzo-p-dioxin-2-ol

3,7-dichlorodibenzo-p-dioxin-2-ol (PubChem CID 86215842) has the molecular formula C12H6Cl2O3 and a molecular weight of 269.08 g/mol. Its IUPAC name is 3,7-dichlorodibenzo-p-dioxin-2-ol.

Molecular Properties

Compound Name3,7-dichlorodibenzo-p-dioxin-2-ol
PubChem CID86215842
Molecular FormulaC12H6Cl2O3
Molecular Weight269.08 g/mol
Exact Mass267.97
IUPAC Name3,7-dichlorodibenzo-p-dioxin-2-ol
SMILESOc1cc2c(cc1Cl)Oc1cc(Cl)ccc1O2
InChIInChI=1S/C12H6Cl2O3/c13-6-1-2-9-10(3-6)17-11-4-7(14)8(15)5-12(11)16-9/h1-5,15H
InChIKeyBJJVISVGCULTEI-UHFFFAOYSA-N
XLogP4.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dichlorodibenzo-p-dioxin-2-ol?
The IUPAC name of 3,7-dichlorodibenzo-p-dioxin-2-ol (CID 86215842) is 3,7-dichlorodibenzo-p-dioxin-2-ol.
What is the SMILES notation for 3,7-dichlorodibenzo-p-dioxin-2-ol?
The canonical SMILES for 3,7-dichlorodibenzo-p-dioxin-2-ol is Oc1cc2c(cc1Cl)Oc1cc(Cl)ccc1O2.
What is the InChIKey of 3,7-dichlorodibenzo-p-dioxin-2-ol?
The InChIKey is BJJVISVGCULTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2O3/c13-6-1-2-9-10(3-6)17-11-4-7(14)8(15)5-12(11)16-9/h1-5,15H.
What are the key properties of 3,7-dichlorodibenzo-p-dioxin-2-ol?
3,7-dichlorodibenzo-p-dioxin-2-ol has a molecular weight of 269.08 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichlorodibenzo-p-dioxin-2-ol is sourced from PubChem (CID 86215842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).