(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone

C12H11BrO3 — CID 25250103

IUPAC(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone
SMILESO=C(c1cc2c(cc1Br)OCCO2)C1CC1
InChIInChI=1S/C12H11BrO3/c13-9-6-11-10(15-3-4-16-11)5-8(9)12(14)7-1-2-7/h5-7H,1-4H2
InChIKeyVKQPWQHOADTHQB-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.81
Rot. Bonds2

About (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone

(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone (PubChem CID 25250103) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone
PubChem CID25250103
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone
SMILESO=C(c1cc2c(cc1Br)OCCO2)C1CC1
InChIInChI=1S/C12H11BrO3/c13-9-6-11-10(15-3-4-16-11)5-8(9)12(14)7-1-2-7/h5-7H,1-4H2
InChIKeyVKQPWQHOADTHQB-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-3-yl)methanone
CID 61272983
[7-[6-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-2,3-dihydro-1,4-benzodioxin-6-yl]-cyclopropylmethanone
CID 45490382
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-2-yl)methanone
CID 43340552
2-bicyclo[2.2.1]heptanyl-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 61364342
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cycloheptylmethanone
CID 62587037
cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 25250095
cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
CID 168528761
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutan-1-one
CID 43162142
2-[[[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]methylidene]propanedinitrile
CID 168545478
4-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298308
5-[[[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168541013

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone?
The IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone (CID 25250103) is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone.
What is the SMILES notation for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone?
The canonical SMILES for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone is O=C(c1cc2c(cc1Br)OCCO2)C1CC1.
What is the InChIKey of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone?
The InChIKey is VKQPWQHOADTHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c13-9-6-11-10(15-3-4-16-11)5-8(9)12(14)7-1-2-7/h5-7H,1-4H2.
What are the key properties of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone?
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone has a molecular weight of 283.12 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone is sourced from PubChem (CID 25250103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).