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

C15H19BrO — CID 66392949

IUPAC2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(CC1(CBr)CCC1)O2
InChIInChI=1S/C15H19BrO/c1-11-3-4-14-12(7-11)8-13(17-14)9-15(10-16)5-2-6-15/h3-4,7,13H,2,5-6,8-10H2,1H3
InChIKeyHOROURFYTQVSBY-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.25
Rot. Bonds3

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

2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 66392949) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID66392949
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(CC1(CBr)CCC1)O2
InChIInChI=1S/C15H19BrO/c1-11-3-4-14-12(7-11)8-13(17-14)9-15(10-16)5-2-6-15/h3-4,7,13H,2,5-6,8-10H2,1H3
InChIKeyHOROURFYTQVSBY-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine
CID 66360102
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol
CID 66393135
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 66361411
[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol
CID 66391192
2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66360867
[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine
CID 66391386
3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 66391779
4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexane-1-carbonitrile
CID 66392942
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-[2,2-bis(bromomethyl)butyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 79455391
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
CID 66360372

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran (CID 66392949) is 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)CC(CC1(CBr)CCC1)O2.
What is the InChIKey of 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is HOROURFYTQVSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-11-3-4-14-12(7-11)8-13(17-14)9-15(10-16)5-2-6-15/h3-4,7,13H,2,5-6,8-10H2,1H3.
What are the key properties of 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran?
2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 295.22 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66392949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).