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

C10H11BrO2 — CID 117200868

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol
SMILESCC(O)C1Cc2cc(Br)ccc2O1
InChIInChI=1S/C10H11BrO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10,12H,5H2,1H3
InChIKeyDWVOFRPDEWIPDU-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.13
Rot. Bonds1

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

1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol (PubChem CID 117200868) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol
PubChem CID117200868
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol
SMILESCC(O)C1Cc2cc(Br)ccc2O1
InChIInChI=1S/C10H11BrO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10,12H,5H2,1H3
InChIKeyDWVOFRPDEWIPDU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200866
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 130734966
1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol
CID 117202643
tert-butyl 2-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyacetate
CID 138524200
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661
(2R,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381670
(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381669
1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 165461235
(2R)-2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methoxy]propanoic acid
CID 104875531

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol (CID 117200868) is 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol is CC(O)C1Cc2cc(Br)ccc2O1.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol?
The InChIKey is DWVOFRPDEWIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10,12H,5H2,1H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol?
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol has a molecular weight of 243.10 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 117200868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).