dibenzo-p-dioxin

C12H8O2 — CID 9216

IUPACdibenzo-p-dioxin
SMILESc1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChIKeyNFBOHOGPQUYFRF-UHFFFAOYSA-N
MW184.19 g/mol
LogP3.58
Rot. Bonds

About dibenzo-p-dioxin

dibenzo-p-dioxin (PubChem CID 9216) has the molecular formula C12H8O2 and a molecular weight of 184.19 g/mol. Its IUPAC name is dibenzo-p-dioxin.

Molecular Properties

Compound Namedibenzo-p-dioxin
PubChem CID9216
Molecular FormulaC12H8O2
Molecular Weight184.19 g/mol
Exact Mass184.05
IUPAC Namedibenzo-p-dioxin
SMILESc1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChIKeyNFBOHOGPQUYFRF-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenyl Ether
CID 7583
Veratrole
CID 7043
2,7-Dichlorodibenzo-P-dioxin
CID 36613
2,8-Dichlorodibenzo-p-dioxin
CID 38193
1,2-Diphenoxyethane
CID 7713
1-Ethoxy-2-methoxybenzene
CID 87170
2-Chlorodibenzo-p-dioxin
CID 38252
1,4-Benzodioxan
CID 10301
Dibenzo-18-crown-6
CID 26541
4-Phenoxyphenylboronic acid
CID 2734377
2,2'-Dihydroxydiphenyl Ether
CID 565162
o-Diethoxybenzene
CID 74904

Frequently Asked Questions

What is the IUPAC name of dibenzo-p-dioxin?
The IUPAC name of dibenzo-p-dioxin (CID 9216) is dibenzo-p-dioxin.
What is the SMILES notation for dibenzo-p-dioxin?
The canonical SMILES for dibenzo-p-dioxin is c1ccc2c(c1)Oc1ccccc1O2.
What is the InChIKey of dibenzo-p-dioxin?
The InChIKey is NFBOHOGPQUYFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H.
What are the key properties of dibenzo-p-dioxin?
dibenzo-p-dioxin has a molecular weight of 184.19 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzo-p-dioxin is sourced from PubChem (CID 9216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).