7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran

C14H16BrClO — CID 103166034

IUPAC7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Br)CC3CCC3)c1)OCC2
InChIInChI=1S/C14H16BrClO/c15-13(6-9-2-1-3-9)12-8-11(16)7-10-4-5-17-14(10)12/h7-9,13H,1-6H2
InChIKeyHBSLSHAZRIQBHP-UHFFFAOYSA-N
MW315.64 g/mol
LogP4.90
Rot. Bonds3

About 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran

7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran (PubChem CID 103166034) has the molecular formula C14H16BrClO and a molecular weight of 315.64 g/mol. Its IUPAC name is 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
PubChem CID103166034
Molecular FormulaC14H16BrClO
Molecular Weight315.64 g/mol
Exact Mass314.01
IUPAC Name7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Br)CC3CCC3)c1)OCC2
InChIInChI=1S/C14H16BrClO/c15-13(6-9-2-1-3-9)12-8-11(16)7-10-4-5-17-14(10)12/h7-9,13H,1-6H2
InChIKeyHBSLSHAZRIQBHP-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.64
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
CID 103166030
5-bromo-7-(1-bromo-2-cyclopropylethyl)-2,3-dihydro-1-benzofuran
CID 104543568
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090
7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544096
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990
7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 113425278
7-[1-bromo-2-(4-bromophenyl)ethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544050
7-(1-bromooctyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543944
7-[bromo(oxan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543959
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
CID 103165529
5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran
CID 104543397

Frequently Asked Questions

What is the IUPAC name of 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran (CID 103166034) is 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran is Clc1cc2c(c(C(Br)CC3CCC3)c1)OCC2.
What is the InChIKey of 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is HBSLSHAZRIQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClO/c15-13(6-9-2-1-3-9)12-8-11(16)7-10-4-5-17-14(10)12/h7-9,13H,1-6H2.
What are the key properties of 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran?
7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 315.64 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 103166034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).