(4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

C15H11BrO3 — CID 677886

IUPAC(4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11BrO3/c16-12-4-1-10(2-5-12)15(17)11-3-6-13-14(9-11)19-8-7-18-13/h1-6,9H,7-8H2
InChIKeySGJFGWWIHHLCTG-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.45
Rot. Bonds2

About (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

(4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (PubChem CID 677886) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
PubChem CID677886
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name(4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11BrO3/c16-12-4-1-10(2-5-12)15(17)11-3-6-13-14(9-11)19-8-7-18-13/h1-6,9H,7-8H2
InChIKeySGJFGWWIHHLCTG-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CID 677886) is (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is O=C(c1ccc(Br)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The InChIKey is SGJFGWWIHHLCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-12-4-1-10(2-5-12)15(17)11-3-6-13-14(9-11)19-8-7-18-13/h1-6,9H,7-8H2.
What are the key properties of (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
(4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone has a molecular weight of 319.15 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is sourced from PubChem (CID 677886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).