4-(bromomethyl)-2,3-dihydro-1-benzofuran

C9H9BrO — CID 139534248

IUPAC4-(bromomethyl)-2,3-dihydro-1-benzofuran
SMILESBrCc1cccc2c1CCO2
InChIInChI=1S/C9H9BrO/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-3H,4-6H2
InChIKeyOTBKHLGFLIDKHD-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.52
Rot. Bonds1

About 4-(bromomethyl)-2,3-dihydro-1-benzofuran

4-(bromomethyl)-2,3-dihydro-1-benzofuran (PubChem CID 139534248) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 4-(bromomethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-(bromomethyl)-2,3-dihydro-1-benzofuran
PubChem CID139534248
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name4-(bromomethyl)-2,3-dihydro-1-benzofuran
SMILESBrCc1cccc2c1CCO2
InChIInChI=1S/C9H9BrO/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-3H,4-6H2
InChIKeyOTBKHLGFLIDKHD-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.52
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-(2,3-dihydro-1-benzofuran-4-yl)-N,N-dimethylmethanamine
CID 141164132
4-prop-2-enyl-2,3-dihydro-1-benzofuran
CID 67079342
1-(2,3-dihydro-1-benzofuran-4-ylmethyl)cyclopropan-1-amine
CID 117281579
(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine
CID 130612679
4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
CID 117282588
4-(bromomethyl)-1,3-benzodioxole
CID 22505967
4-butan-2-yl-2,3-dihydro-1-benzofuran
CID 144643347
[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine
CID 18787377
4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 177208658
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
5-bromo-4-chloro-2,3-dihydro-1-benzofuran
CID 82374686
[3-(2,3-dihydro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309097

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-(bromomethyl)-2,3-dihydro-1-benzofuran (CID 139534248) is 4-(bromomethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-(bromomethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-(bromomethyl)-2,3-dihydro-1-benzofuran is BrCc1cccc2c1CCO2.
What is the InChIKey of 4-(bromomethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is OTBKHLGFLIDKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-3H,4-6H2.
What are the key properties of 4-(bromomethyl)-2,3-dihydro-1-benzofuran?
4-(bromomethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 213.07 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 139534248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).