(3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol

C13H10BrClO4 — CID 63943588

IUPAC(3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESOC(c1cc(Cl)c2c(c1)OCCO2)c1occc1Br
InChIInChI=1S/C13H10BrClO4/c14-8-1-2-18-12(8)11(16)7-5-9(15)13-10(6-7)17-3-4-19-13/h1-2,5-6,11,16H,3-4H2
InChIKeyQKAJIOOIWWITBL-UHFFFAOYSA-N
MW345.58 g/mol
LogP3.55
Rot. Bonds2

About (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol

(3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (PubChem CID 63943588) has the molecular formula C13H10BrClO4 and a molecular weight of 345.58 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
PubChem CID63943588
Molecular FormulaC13H10BrClO4
Molecular Weight345.58 g/mol
Exact Mass343.95
IUPAC Name(3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESOC(c1cc(Cl)c2c(c1)OCCO2)c1occc1Br
InChIInChI=1S/C13H10BrClO4/c14-8-1-2-18-12(8)11(16)7-5-9(15)13-10(6-7)17-3-4-19-13/h1-2,5-6,11,16H,3-4H2
InChIKeyQKAJIOOIWWITBL-UHFFFAOYSA-N
XLogP3.55
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (CID 63943588) is (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is OC(c1cc(Cl)c2c(c1)OCCO2)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The InChIKey is QKAJIOOIWWITBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO4/c14-8-1-2-18-12(8)11(16)7-5-9(15)13-10(6-7)17-3-4-19-13/h1-2,5-6,11,16H,3-4H2.
What are the key properties of (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
(3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol has a molecular weight of 345.58 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is sourced from PubChem (CID 63943588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).