5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran

C14H17BrO — CID 63020800

IUPAC5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran
SMILESBrC(c1ccc2c(c1)COC2)C1CCCC1
InChIInChI=1S/C14H17BrO/c15-14(10-3-1-2-4-10)11-5-6-12-8-16-9-13(12)7-11/h5-7,10,14H,1-4,8-9H2
InChIKeyHTBMQNATYADJJC-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.34
Rot. Bonds2

About 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran

5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran (PubChem CID 63020800) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran
PubChem CID63020800
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran
SMILESBrC(c1ccc2c(c1)COC2)C1CCCC1
InChIInChI=1S/C14H17BrO/c15-14(10-3-1-2-4-10)11-5-6-12-8-16-9-13(12)7-11/h5-7,10,14H,1-4,8-9H2
InChIKeyHTBMQNATYADJJC-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.34
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(oxan-3-yl)methyl]-1,3-dihydro-2-benzofuran
CID 55144249
5-[bromo(oxan-2-yl)methyl]-1,3-dihydro-2-benzofuran
CID 63019928
6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439571
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 65018267
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 65023088
5-[2-adamantyl(bromo)methyl]-1,3-dihydro-2-benzofuran
CID 81099615
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
CID 63019567
5-[bromo-(3,4-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144438
[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
CID 63445197
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydro-2-benzofuran
CID 63019930
6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61098910
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253

Frequently Asked Questions

What is the IUPAC name of 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran (CID 63020800) is 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran is BrC(c1ccc2c(c1)COC2)C1CCCC1.
What is the InChIKey of 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran?
The InChIKey is HTBMQNATYADJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c15-14(10-3-1-2-4-10)11-5-6-12-8-16-9-13(12)7-11/h5-7,10,14H,1-4,8-9H2.
What are the key properties of 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran?
5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran has a molecular weight of 281.19 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 63020800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).