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

C15H19BrO — CID 66361620

IUPAC2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(CC1CCCC1Br)O2
InChIInChI=1S/C15H19BrO/c1-10-5-6-15-12(7-10)9-13(17-15)8-11-3-2-4-14(11)16/h5-7,11,13-14H,2-4,8-9H2,1H3
InChIKeyMVLRYMXWDYPDSV-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.25
Rot. Bonds2

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

2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 66361620) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID66361620
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(CC1CCCC1Br)O2
InChIInChI=1S/C15H19BrO/c1-10-5-6-15-12(7-10)9-13(17-15)8-11-3-2-4-14(11)16/h5-7,11,13-14H,2-4,8-9H2,1H3
InChIKeyMVLRYMXWDYPDSV-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.25
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

2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360655
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
CID 66362602
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol
CID 66394093
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol
CID 66360881
1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66362796
2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
CID 63471595
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol
CID 66393135

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran (CID 66361620) is 2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)CC(CC1CCCC1Br)O2.
What is the InChIKey of 2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is MVLRYMXWDYPDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-10-5-6-15-12(7-10)9-13(17-15)8-11-3-2-4-14(11)16/h5-7,11,13-14H,2-4,8-9H2,1H3.
What are the key properties of 2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 295.22 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66361620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).