(1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol

C10H11BrO2 — CID 112756246

IUPAC(1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESC[C@H](O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C10H11BrO2/c1-6(12)9-5-8(11)4-7-2-3-13-10(7)9/h4-6,12H,2-3H2,1H3/t6-/m0/s1
InChIKeyNSJZAQQYJDVUEW-LURJTMIESA-N
MW243.10 g/mol
LogP2.44
Rot. Bonds1

About (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol

(1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol (PubChem CID 112756246) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
PubChem CID112756246
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESC[C@H](O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C10H11BrO2/c1-6(12)9-5-8(11)4-7-2-3-13-10(7)9/h4-6,12H,2-3H2,1H3/t6-/m0/s1
InChIKeyNSJZAQQYJDVUEW-LURJTMIESA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The IUPAC name of (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol (CID 112756246) is (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol.
What is the SMILES notation for (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The canonical SMILES for (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol is C[C@H](O)c1cc(Br)cc2c1OCC2.
What is the InChIKey of (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The InChIKey is NSJZAQQYJDVUEW-LURJTMIESA-N. The full InChI is InChI=1S/C10H11BrO2/c1-6(12)9-5-8(11)4-7-2-3-13-10(7)9/h4-6,12H,2-3H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
(1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol has a molecular weight of 243.10 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol is sourced from PubChem (CID 112756246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).