(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol

C11H13BrO2 — CID 104545355

IUPAC(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
SMILESCC[C@@H](O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C11H13BrO2/c1-2-10(13)9-6-8(12)5-7-3-4-14-11(7)9/h5-6,10,13H,2-4H2,1H3/t10-/m1/s1
InChIKeyFXQKBDTUYIIHOX-SNVBAGLBSA-N
MW257.13 g/mol
LogP2.83
Rot. Bonds2

About (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol

(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol (PubChem CID 104545355) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
PubChem CID104545355
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
SMILESCC[C@@H](O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C11H13BrO2/c1-2-10(13)9-6-8(12)5-7-3-4-14-11(7)9/h5-6,10,13H,2-4H2,1H3/t10-/m1/s1
InChIKeyFXQKBDTUYIIHOX-SNVBAGLBSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
CID 103165529
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
ethyl 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117484723
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
CID 113425147
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-ethylfuran-2-yl)methanol
CID 104542868
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103210444
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-ethoxyphenyl)methanol
CID 104542962
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol?
The IUPAC name of (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol (CID 104545355) is (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol.
What is the SMILES notation for (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol?
The canonical SMILES for (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol is CC[C@@H](O)c1cc(Br)cc2c1OCC2.
What is the InChIKey of (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol?
The InChIKey is FXQKBDTUYIIHOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-2-10(13)9-6-8(12)5-7-3-4-14-11(7)9/h5-6,10,13H,2-4H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol?
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol has a molecular weight of 257.13 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol is sourced from PubChem (CID 104545355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).