1,3-dimethyldibenzo-p-dioxin

C14H12O2 — CID 131860997

IUPAC1,3-dimethyldibenzo-p-dioxin
SMILESCc1cc(C)c2c(c1)Oc1ccccc1O2
InChIInChI=1S/C14H12O2/c1-9-7-10(2)14-13(8-9)15-11-5-3-4-6-12(11)16-14/h3-8H,1-2H3
InChIKeyVUDFYOZSRNHSPN-UHFFFAOYSA-N
MW212.25 g/mol
LogP4.20
Rot. Bonds

About 1,3-dimethyldibenzo-p-dioxin

1,3-dimethyldibenzo-p-dioxin (PubChem CID 131860997) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,3-dimethyldibenzo-p-dioxin.

Molecular Properties

Compound Name1,3-dimethyldibenzo-p-dioxin
PubChem CID131860997
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name1,3-dimethyldibenzo-p-dioxin
SMILESCc1cc(C)c2c(c1)Oc1ccccc1O2
InChIInChI=1S/C14H12O2/c1-9-7-10(2)14-13(8-9)15-11-5-3-4-6-12(11)16-14/h3-8H,1-2H3
InChIKeyVUDFYOZSRNHSPN-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174071869
1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]
CID 122222950
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
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
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10-[2,4-dimethyl-6-(trideuteriomethyl)phenyl]benzo[b][1,4]benzoxaborinine
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9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine
CID 59573255
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CID 101091919
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CID 14392135
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyldibenzo-p-dioxin?
The IUPAC name of 1,3-dimethyldibenzo-p-dioxin (CID 131860997) is 1,3-dimethyldibenzo-p-dioxin.
What is the SMILES notation for 1,3-dimethyldibenzo-p-dioxin?
The canonical SMILES for 1,3-dimethyldibenzo-p-dioxin is Cc1cc(C)c2c(c1)Oc1ccccc1O2.
What is the InChIKey of 1,3-dimethyldibenzo-p-dioxin?
The InChIKey is VUDFYOZSRNHSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-9-7-10(2)14-13(8-9)15-11-5-3-4-6-12(11)16-14/h3-8H,1-2H3.
What are the key properties of 1,3-dimethyldibenzo-p-dioxin?
1,3-dimethyldibenzo-p-dioxin has a molecular weight of 212.25 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyldibenzo-p-dioxin is sourced from PubChem (CID 131860997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).