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

C19H13BrO4 — CID 168527511

IUPAC(4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1cc2c(cc1-c1ccco1)OCCO2
InChIInChI=1S/C19H13BrO4/c20-13-5-3-12(4-6-13)19(21)15-11-18-17(23-8-9-24-18)10-14(15)16-2-1-7-22-16/h1-7,10-11H,8-9H2
InChIKeyWMKOWXCAFBHYTN-UHFFFAOYSA-N
MW385.21 g/mol
LogP4.71
Rot. Bonds3

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

(4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone (PubChem CID 168527511) has the molecular formula C19H13BrO4 and a molecular weight of 385.21 g/mol. Its IUPAC name is (4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
PubChem CID168527511
Molecular FormulaC19H13BrO4
Molecular Weight385.21 g/mol
Exact Mass384.00
IUPAC Name(4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1cc2c(cc1-c1ccco1)OCCO2
InChIInChI=1S/C19H13BrO4/c20-13-5-3-12(4-6-13)19(21)15-11-18-17(23-8-9-24-18)10-14(15)16-2-1-7-22-16/h1-7,10-11H,8-9H2
InChIKeyWMKOWXCAFBHYTN-UHFFFAOYSA-N
XLogP4.71
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone?
The IUPAC name of (4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone (CID 168527511) is (4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone is O=C(c1ccc(Br)cc1)c1cc2c(cc1-c1ccco1)OCCO2.
What is the InChIKey of (4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone?
The InChIKey is WMKOWXCAFBHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrO4/c20-13-5-3-12(4-6-13)19(21)15-11-18-17(23-8-9-24-18)10-14(15)16-2-1-7-22-16/h1-7,10-11H,8-9H2.
What are the key properties of (4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone?
(4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone has a molecular weight of 385.21 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone is sourced from PubChem (CID 168527511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).