1-(1-benzofuran-3-yl)-2-bromopropan-1-ol

C11H11BrO2 — CID 116863408

IUPAC1-(1-benzofuran-3-yl)-2-bromopropan-1-ol
SMILESCC(Br)C(O)c1coc2ccccc12
InChIInChI=1S/C11H11BrO2/c1-7(12)11(13)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,13H,1H3
InChIKeyUSBBIHDZPASSGZ-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.25
Rot. Bonds2

About 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol

1-(1-benzofuran-3-yl)-2-bromopropan-1-ol (PubChem CID 116863408) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-bromopropan-1-ol
PubChem CID116863408
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name1-(1-benzofuran-3-yl)-2-bromopropan-1-ol
SMILESCC(Br)C(O)c1coc2ccccc12
InChIInChI=1S/C11H11BrO2/c1-7(12)11(13)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,13H,1H3
InChIKeyUSBBIHDZPASSGZ-UHFFFAOYSA-N
XLogP3.25
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-3-yl)-2-methylpentan-1-ol
CID 107892766
2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol
CID 65185900
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
(R)-1-benzofuran-3-yl(thiophen-3-yl)methanol
CID 155933737
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
2-(1-benzofuran-3-yl)-3-methylbutanenitrile
CID 116964671
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
3-benzhydryl-1-benzofuran
CID 53493031
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914399

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol (CID 116863408) is 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol is CC(Br)C(O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol?
The InChIKey is USBBIHDZPASSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-7(12)11(13)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,13H,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol?
1-(1-benzofuran-3-yl)-2-bromopropan-1-ol has a molecular weight of 255.11 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-bromopropan-1-ol is sourced from PubChem (CID 116863408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).