(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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Related Compounds

(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524602
5-[6-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-7-yl]furan-2-carbaldehyde
CID 169334872
cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
CID 168528761
[5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone
CID 168527954
(4-bromophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 3325153
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone
CID 168528341
(2R)-2-bromo-N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
CID 41285134
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanone
CID 43340554
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621
(4-chlorophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524484
(2-amino-4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116591847
(2-amino-5-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 82696905

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).