1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol

C15H19BrO2 — CID 105122499

IUPAC1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H19BrO2/c1-3-10(4-2)8-13(17)14-9-11-6-5-7-12(16)15(11)18-14/h5-7,9-10,13,17H,3-4,8H2,1-2H3
InChIKeyKUWOUYVAYJXZPY-UHFFFAOYSA-N
MW311.22 g/mol
LogP5.05
Rot. Bonds5

About 1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol

1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol (PubChem CID 105122499) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
PubChem CID105122499
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H19BrO2/c1-3-10(4-2)8-13(17)14-9-11-6-5-7-12(16)15(11)18-14/h5-7,9-10,13,17H,3-4,8H2,1-2H3
InChIKeyKUWOUYVAYJXZPY-UHFFFAOYSA-N
XLogP5.05
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.22
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)pent-4-yn-1-ol
CID 105098554
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
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)prop-2-en-1-ol
CID 105108452
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 105083427

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol (CID 105122499) is 1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol is CCC(CC)CC(O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol?
The InChIKey is KUWOUYVAYJXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-3-10(4-2)8-13(17)14-9-11-6-5-7-12(16)15(11)18-14/h5-7,9-10,13,17H,3-4,8H2,1-2H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol?
1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol has a molecular weight of 311.22 g/mol, XLogP of 5.05, 5 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)-3-ethylpentan-1-ol is sourced from PubChem (CID 105122499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).