1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol

C13H11BrO2 — CID 105098554

IUPAC1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C13H11BrO2/c1-2-3-7-11(15)12-8-9-5-4-6-10(14)13(9)16-12/h1,4-6,8,11,15H,3,7H2
InChIKeyBQOPCMBPNAKXPK-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.64
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol

1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol (PubChem CID 105098554) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol
PubChem CID105098554
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C13H11BrO2/c1-2-3-7-11(15)12-8-9-5-4-6-10(14)13(9)16-12/h1,4-6,8,11,15H,3,7H2
InChIKeyBQOPCMBPNAKXPK-UHFFFAOYSA-N
XLogP3.64
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
CID 105122499
1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097833
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol
CID 105108452
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 105083427
1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-(3-bromo-2-methylphenyl)pent-4-yn-1-ol
CID 115799431

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol (CID 105098554) is 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol is C#CCCC(O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol?
The InChIKey is BQOPCMBPNAKXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c1-2-3-7-11(15)12-8-9-5-4-6-10(14)13(9)16-12/h1,4-6,8,11,15H,3,7H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol?
1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol has a molecular weight of 279.13 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol is sourced from PubChem (CID 105098554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).