1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol

C16H11BrO4 — CID 114723309

IUPAC1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol
SMILESOC(c1cc(Br)c2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C16H11BrO4/c17-11-5-10(7-14-16(11)20-8-19-14)15(18)13-6-9-3-1-2-4-12(9)21-13/h1-7,15,18H,8H2
InChIKeyFSGJLQPEBVRJHE-UHFFFAOYSA-N
MW347.16 g/mol
LogP4.01
Rot. Bonds2

About 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol

1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol (PubChem CID 114723309) has the molecular formula C16H11BrO4 and a molecular weight of 347.16 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol
PubChem CID114723309
Molecular FormulaC16H11BrO4
Molecular Weight347.16 g/mol
Exact Mass345.98
IUPAC Name1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol
SMILESOC(c1cc(Br)c2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C16H11BrO4/c17-11-5-10(7-14-16(11)20-8-19-14)15(18)13-6-9-3-1-2-4-12(9)21-13/h1-7,15,18H,8H2
InChIKeyFSGJLQPEBVRJHE-UHFFFAOYSA-N
XLogP4.01
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol
CID 114723371
(7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol
CID 63894043
2-amino-1-(7-bromo-1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 62722937
(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol
CID 81437182
1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol
CID 105128806
(7-bromo-1,3-benzodioxol-5-yl)-(5-bromo-2-fluorophenyl)methanol
CID 79742900
(7-bromo-1,3-benzodioxol-5-yl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82802781
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol
CID 115836064
1-(7-bromo-1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)ethanol
CID 63895393
2-(2-bromoanilino)-2-(7-bromo-1,3-benzodioxol-5-yl)ethanol
CID 61048853
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
CID 114885782
1-benzofuran-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 114724178

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol (CID 114723309) is 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol is OC(c1cc(Br)c2c(c1)OCO2)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol?
The InChIKey is FSGJLQPEBVRJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO4/c17-11-5-10(7-14-16(11)20-8-19-14)15(18)13-6-9-3-1-2-4-12(9)21-13/h1-7,15,18H,8H2.
What are the key properties of 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol?
1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol has a molecular weight of 347.16 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol is sourced from PubChem (CID 114723309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).