[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol

C9H9BrO2 — CID 86326706

IUPAC[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOC[C@H]1Cc2cc(Br)ccc2O1
InChIInChI=1S/C9H9BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8,11H,4-5H2/t8-/m1/s1
InChIKeyCOPLPYBSTHRUPU-MRVPVSSYSA-N
MW229.07 g/mol
LogP1.74
Rot. Bonds1

About [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol

[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 86326706) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
PubChem CID86326706
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOC[C@H]1Cc2cc(Br)ccc2O1
InChIInChI=1S/C9H9BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8,11H,4-5H2/t8-/m1/s1
InChIKeyCOPLPYBSTHRUPU-MRVPVSSYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672365
3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293881
[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]azepan-2-yl]methanol
CID 116637752
(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244646
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol
CID 66361038
CID 174092443
CID 174092443
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 66393927
1-[4-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone
CID 135128482
[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]triazol-4-yl]methanol
CID 66361064
(2R)-2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methoxy]propanoic acid
CID 104875531
3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1,1-difluoropropan-2-ol
CID 114093471
1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine-3-carboxylic acid
CID 66360634

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol (CID 86326706) is [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol is OC[C@H]1Cc2cc(Br)ccc2O1.
What is the InChIKey of [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is COPLPYBSTHRUPU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8,11H,4-5H2/t8-/m1/s1.
What are the key properties of [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol?
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 229.07 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 86326706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).