2-(4-bromophenyl)dibenzo-p-dioxin

C18H11BrO2 — CID 126629841

IUPAC2-(4-bromophenyl)dibenzo-p-dioxin
SMILESBrc1ccc(-c2ccc3c(c2)Oc2ccccc2O3)cc1
InChIInChI=1S/C18H11BrO2/c19-14-8-5-12(6-9-14)13-7-10-17-18(11-13)21-16-4-2-1-3-15(16)20-17/h1-11H
InChIKeyRTHCPEFQUYBHKX-UHFFFAOYSA-N
MW339.19 g/mol
LogP6.01
Rot. Bonds1

About 2-(4-bromophenyl)dibenzo-p-dioxin

2-(4-bromophenyl)dibenzo-p-dioxin (PubChem CID 126629841) has the molecular formula C18H11BrO2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)dibenzo-p-dioxin.

Molecular Properties

Compound Name2-(4-bromophenyl)dibenzo-p-dioxin
PubChem CID126629841
Molecular FormulaC18H11BrO2
Molecular Weight339.19 g/mol
Exact Mass337.99
IUPAC Name2-(4-bromophenyl)dibenzo-p-dioxin
SMILESBrc1ccc(-c2ccc3c(c2)Oc2ccccc2O3)cc1
InChIInChI=1S/C18H11BrO2/c19-14-8-5-12(6-9-14)13-7-10-17-18(11-13)21-16-4-2-1-3-15(16)20-17/h1-11H
InChIKeyRTHCPEFQUYBHKX-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.19
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methanamine;2-phenyldibenzo-p-dioxin
CID 144875802
2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146666293
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
3-(3-bromo-5-phenylphenyl)-9,9-dimethylxanthene
CID 166679254
dibenzo-p-dioxin-2-amine
CID 1070744
7-(2,4-dioxo-1,3,5-benzotrioxepin-7-yl)-1,3,5-benzotrioxepine-2,4-dione
CID 22074970
9-bromobenzo[a]oxanthrene
CID 142294271
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)dibenzo-p-dioxin?
The IUPAC name of 2-(4-bromophenyl)dibenzo-p-dioxin (CID 126629841) is 2-(4-bromophenyl)dibenzo-p-dioxin.
What is the SMILES notation for 2-(4-bromophenyl)dibenzo-p-dioxin?
The canonical SMILES for 2-(4-bromophenyl)dibenzo-p-dioxin is Brc1ccc(-c2ccc3c(c2)Oc2ccccc2O3)cc1.
What is the InChIKey of 2-(4-bromophenyl)dibenzo-p-dioxin?
The InChIKey is RTHCPEFQUYBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrO2/c19-14-8-5-12(6-9-14)13-7-10-17-18(11-13)21-16-4-2-1-3-15(16)20-17/h1-11H.
What are the key properties of 2-(4-bromophenyl)dibenzo-p-dioxin?
2-(4-bromophenyl)dibenzo-p-dioxin has a molecular weight of 339.19 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)dibenzo-p-dioxin is sourced from PubChem (CID 126629841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).