1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene

C140H120O16S4 — CID 158696958

IUPAC1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene
SMILESCc1cc2c(cc1C)Oc1ccccc1O2.Cc1ccc(C)c2c1Oc1ccccc1O2.Cc1ccc2c(c1)Oc1c(C)cccc1O2.Cc1ccc2c(c1)Oc1cc(C)ccc1O2.Cc1ccc2c(c1)Oc1ccc(C)cc1O2.Cc1ccc2c(c1)Oc1cccc(C)c1O2.Cc1ccc2c(c1)Sc1cc(C)ccc1S2.Cc1ccc2c(c1)Sc1ccc(C)cc1S2.Cc1cccc2c1Oc1c(C)cccc1O2.Cc1cccc2c1Oc1cccc(C)c1O2
InChIInChI=1S/8C14H12O2.2C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11;1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11;1-9-5-3-7-11-13(9)15-12-8-4-6-10(2)14(12)16-11;1-9-5-3-7-11-13(9)16-14-10(2)6-4-8-12(14)15-11;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(12)16-11;1-9-6-7-11-13(8-9)16-14-10(2)4-3-5-12(14)15-11;1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13;1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14;1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11;1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h10*3-8H,1-2H3
InChIKeyIHBKESCJPFNGCL-UHFFFAOYSA-N
MW2186.75 g/mol
LogP43.45
Rot. Bonds

About 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene

1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene (PubChem CID 158696958) has the molecular formula C140H120O16S4 and a molecular weight of 2186.75 g/mol. Its IUPAC name is 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene.

Molecular Properties

Compound Name1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene
PubChem CID158696958
Molecular FormulaC140H120O16S4
Molecular Weight2186.75 g/mol
Exact Mass2184.75
IUPAC Name1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene
SMILESCc1cc2c(cc1C)Oc1ccccc1O2.Cc1ccc(C)c2c1Oc1ccccc1O2.Cc1ccc2c(c1)Oc1c(C)cccc1O2.Cc1ccc2c(c1)Oc1cc(C)ccc1O2.Cc1ccc2c(c1)Oc1ccc(C)cc1O2.Cc1ccc2c(c1)Oc1cccc(C)c1O2.Cc1ccc2c(c1)Sc1cc(C)ccc1S2.Cc1ccc2c(c1)Sc1ccc(C)cc1S2.Cc1cccc2c1Oc1c(C)cccc1O2.Cc1cccc2c1Oc1cccc(C)c1O2
InChIInChI=1S/8C14H12O2.2C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11;1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11;1-9-5-3-7-11-13(9)15-12-8-4-6-10(2)14(12)16-11;1-9-5-3-7-11-13(9)16-14-10(2)6-4-8-12(14)15-11;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(12)16-11;1-9-6-7-11-13(8-9)16-14-10(2)4-3-5-12(14)15-11;1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13;1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14;1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11;1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h10*3-8H,1-2H3
InChIKeyIHBKESCJPFNGCL-UHFFFAOYSA-N
XLogP43.45
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002186.75
LogP ≤ 543.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene?
The IUPAC name of 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene (CID 158696958) is 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene.
What is the SMILES notation for 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene?
The canonical SMILES for 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene is Cc1cc2c(cc1C)Oc1ccccc1O2.Cc1ccc(C)c2c1Oc1ccccc1O2.Cc1ccc2c(c1)Oc1c(C)cccc1O2.Cc1ccc2c(c1)Oc1cc(C)ccc1O2.Cc1ccc2c(c1)Oc1ccc(C)cc1O2.Cc1ccc2c(c1)Oc1cccc(C)c1O2.Cc1ccc2c(c1)Sc1cc(C)ccc1S2.Cc1ccc2c(c1)Sc1ccc(C)cc1S2.Cc1cccc2c1Oc1c(C)cccc1O2.Cc1cccc2c1Oc1cccc(C)c1O2.
What is the InChIKey of 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene?
The InChIKey is IHBKESCJPFNGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/8C14H12O2.2C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11;1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11;1-9-5-3-7-11-13(9)15-12-8-4-6-10(2)14(12)16-11;1-9-5-3-7-11-13(9)16-14-10(2)6-4-8-12(14)15-11;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(12)16-11;1-9-6-7-11-13(8-9)16-14-10(2)4-3-5-12(14)15-11;1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13;1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14;1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11;1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h10*3-8H,1-2H3.
What are the key properties of 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene?
1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene has a molecular weight of 2186.75 g/mol, XLogP of 43.45, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyldibenzo-p-dioxin;1,6-dimethyldibenzo-p-dioxin;1,7-dimethyldibenzo-p-dioxin;1,8-dimethyldibenzo-p-dioxin;1,9-dimethyldibenzo-p-dioxin;2,3-dimethyldibenzo-p-dioxin;2,7-dimethyldibenzo-p-dioxin;2,8-dimethyldibenzo-p-dioxin;2,7-dimethylthianthrene;2,8-dimethylthianthrene is sourced from PubChem (CID 158696958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).