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

C11H13BrO2 — CID 117201898

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
SMILESCC(O)CC1COc2ccc(Br)cc21
InChIInChI=1S/C11H13BrO2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5,7-8,13H,4,6H2,1H3
InChIKeyCDHCNRMMBQDMMY-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.70
Rot. Bonds2

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

1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol (PubChem CID 117201898) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
PubChem CID117201898
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
SMILESCC(O)CC1COc2ccc(Br)cc21
InChIInChI=1S/C11H13BrO2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5,7-8,13H,4,6H2,1H3
InChIKeyCDHCNRMMBQDMMY-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol (CID 117201898) is 1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol is CC(O)CC1COc2ccc(Br)cc21.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol?
The InChIKey is CDHCNRMMBQDMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5,7-8,13H,4,6H2,1H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol?
1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol has a molecular weight of 257.13 g/mol, XLogP of 2.70, 2 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-3-yl)propan-2-ol is sourced from PubChem (CID 117201898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).