5-bromo-2,2-diphenyl-1,3-benzodioxole

C19H13BrO2 — CID 22319515

IUPAC5-bromo-2,2-diphenyl-1,3-benzodioxole
SMILESBrc1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C19H13BrO2/c20-16-11-12-17-18(13-16)22-19(21-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyDZPGCBNJLAKMQJ-UHFFFAOYSA-N
MW353.22 g/mol
LogP5.12
Rot. Bonds2

About 5-bromo-2,2-diphenyl-1,3-benzodioxole

5-bromo-2,2-diphenyl-1,3-benzodioxole (PubChem CID 22319515) has the molecular formula C19H13BrO2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-bromo-2,2-diphenyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-bromo-2,2-diphenyl-1,3-benzodioxole
PubChem CID22319515
Molecular FormulaC19H13BrO2
Molecular Weight353.22 g/mol
Exact Mass352.01
IUPAC Name5-bromo-2,2-diphenyl-1,3-benzodioxole
SMILESBrc1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C19H13BrO2/c20-16-11-12-17-18(13-16)22-19(21-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyDZPGCBNJLAKMQJ-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.22
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,2-diphenyl-1,3-benzodioxole?
The IUPAC name of 5-bromo-2,2-diphenyl-1,3-benzodioxole (CID 22319515) is 5-bromo-2,2-diphenyl-1,3-benzodioxole.
What is the SMILES notation for 5-bromo-2,2-diphenyl-1,3-benzodioxole?
The canonical SMILES for 5-bromo-2,2-diphenyl-1,3-benzodioxole is Brc1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of 5-bromo-2,2-diphenyl-1,3-benzodioxole?
The InChIKey is DZPGCBNJLAKMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrO2/c20-16-11-12-17-18(13-16)22-19(21-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 5-bromo-2,2-diphenyl-1,3-benzodioxole?
5-bromo-2,2-diphenyl-1,3-benzodioxole has a molecular weight of 353.22 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,2-diphenyl-1,3-benzodioxole is sourced from PubChem (CID 22319515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).