1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol

C14H17BrO2 — CID 103165529

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H17BrO2/c15-11-7-10-4-5-17-14(10)12(8-11)13(16)6-9-2-1-3-9/h7-9,13,16H,1-6H2
InChIKeyBHMLIONUVNUNRJ-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.61
Rot. Bonds3

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol (PubChem CID 103165529) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
PubChem CID103165529
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H17BrO2/c15-11-7-10-4-5-17-14(10)12(8-11)13(16)6-9-2-1-3-9/h7-9,13,16H,1-6H2
InChIKeyBHMLIONUVNUNRJ-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
CID 103166030
5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran
CID 104543397
5-bromo-7-(1-bromo-2-cyclopropylethyl)-2,3-dihydro-1-benzofuran
CID 104543568
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
CID 113425147
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(oxan-2-yl)propan-1-ol
CID 104543058
5-bromo-7-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543463
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclopropyl-N-ethylethanamine
CID 104541832
7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran
CID 113425227
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 103166034

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol (CID 103165529) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol is OC(CC1CCC1)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol?
The InChIKey is BHMLIONUVNUNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-11-7-10-4-5-17-14(10)12(8-11)13(16)6-9-2-1-3-9/h7-9,13,16H,1-6H2.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol has a molecular weight of 297.19 g/mol, XLogP of 3.61, 3 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-7-yl)-2-cyclobutylethanol is sourced from PubChem (CID 103165529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).