cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone

C16H14O4 — CID 168528761

IUPACcyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
SMILESO=C(c1cc2c(cc1-c1ccco1)OCCO2)C1CC1
InChIInChI=1S/C16H14O4/c17-16(10-3-4-10)12-9-15-14(19-6-7-20-15)8-11(12)13-2-1-5-18-13/h1-2,5,8-10H,3-4,6-7H2
InChIKeyWENOQDBGKYOKQU-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.31
Rot. Bonds3

About cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone

cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone (PubChem CID 168528761) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
PubChem CID168528761
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namecyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
SMILESO=C(c1cc2c(cc1-c1ccco1)OCCO2)C1CC1
InChIInChI=1S/C16H14O4/c17-16(10-3-4-10)12-9-15-14(19-6-7-20-15)8-11(12)13-2-1-5-18-13/h1-2,5,8-10H,3-4,6-7H2
InChIKeyWENOQDBGKYOKQU-UHFFFAOYSA-N
XLogP3.31
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone?
The IUPAC name of cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone (CID 168528761) is cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone.
What is the SMILES notation for cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone?
The canonical SMILES for cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone is O=C(c1cc2c(cc1-c1ccco1)OCCO2)C1CC1.
What is the InChIKey of cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone?
The InChIKey is WENOQDBGKYOKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-16(10-3-4-10)12-9-15-14(19-6-7-20-15)8-11(12)13-2-1-5-18-13/h1-2,5,8-10H,3-4,6-7H2.
What are the key properties of cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone?
cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone has a molecular weight of 270.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone is sourced from PubChem (CID 168528761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).