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

C14H17BrO — CID 61096385

IUPAC5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cc(C(Br)C3CC3C)ccc2O1
InChIInChI=1S/C14H17BrO/c1-8-5-12(8)14(15)10-3-4-13-11(7-10)6-9(2)16-13/h3-4,7-9,12,14H,5-6H2,1-2H3
InChIKeyKRRZSLLNGBTWQP-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.10
Rot. Bonds2

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

5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 61096385) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is 5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID61096385
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cc(C(Br)C3CC3C)ccc2O1
InChIInChI=1S/C14H17BrO/c1-8-5-12(8)14(15)10-3-4-13-11(7-10)6-9(2)16-13/h3-4,7-9,12,14H,5-6H2,1-2H3
InChIKeyKRRZSLLNGBTWQP-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
5-[1-bromo-2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63442471
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
5-[bromo-(2-chloro-4-methylphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 106863093
5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 55199936
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
5-[bromo-(5-nitrofuran-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 61097187
5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 65428516
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
5-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63443045

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran (CID 61096385) is 5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran is CC1Cc2cc(C(Br)C3CC3C)ccc2O1.
What is the InChIKey of 5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is KRRZSLLNGBTWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c1-8-5-12(8)14(15)10-3-4-13-11(7-10)6-9(2)16-13/h3-4,7-9,12,14H,5-6H2,1-2H3.
What are the key properties of 5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran?
5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 281.19 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 61096385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).