7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran

C15H18BrClO2 — CID 104544096

IUPAC7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Br)CCC3CCCO3)c1)OCC2
InChIInChI=1S/C15H18BrClO2/c16-14(4-3-12-2-1-6-18-12)13-9-11(17)8-10-5-7-19-15(10)13/h8-9,12,14H,1-7H2
InChIKeyUEGCIWMOKMWJPD-UHFFFAOYSA-N
MW345.66 g/mol
LogP4.67
Rot. Bonds4

About 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran

7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran (PubChem CID 104544096) has the molecular formula C15H18BrClO2 and a molecular weight of 345.66 g/mol. Its IUPAC name is 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran
PubChem CID104544096
Molecular FormulaC15H18BrClO2
Molecular Weight345.66 g/mol
Exact Mass344.02
IUPAC Name7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Br)CCC3CCCO3)c1)OCC2
InChIInChI=1S/C15H18BrClO2/c16-14(4-3-12-2-1-6-18-12)13-9-11(17)8-10-5-7-19-15(10)13/h8-9,12,14H,1-7H2
InChIKeyUEGCIWMOKMWJPD-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.66
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanol
CID 104543084
7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 103166034
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105031427
7-[bromo(oxan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543959
7-(1-bromooctyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543944
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(oxan-2-yl)propan-1-ol
CID 104543058
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990
2-[3-bromo-3-(4-chlorophenyl)propyl]oxolane
CID 65158160
2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
CID 65158065
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine
CID 113425437
7-[1-bromo-2-(4-bromophenyl)ethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544050

Frequently Asked Questions

What is the IUPAC name of 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran (CID 104544096) is 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran is Clc1cc2c(c(C(Br)CCC3CCCO3)c1)OCC2.
What is the InChIKey of 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is UEGCIWMOKMWJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClO2/c16-14(4-3-12-2-1-6-18-12)13-9-11(17)8-10-5-7-19-15(10)13/h8-9,12,14H,1-7H2.
What are the key properties of 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran?
7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 345.66 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104544096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).