bromomethane;2,3-dihydro-1-benzofuran

C9H11BrO — CID 69259048

IUPACbromomethane;2,3-dihydro-1-benzofuran
SMILESCBr.c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O.CH3Br/c1-2-4-8-7(3-1)5-6-9-8;1-2/h1-4H,5-6H2;1H3
InChIKeyCENOVLYSDOAJJD-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.63
Rot. Bonds

About bromomethane;2,3-dihydro-1-benzofuran

bromomethane;2,3-dihydro-1-benzofuran (PubChem CID 69259048) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is bromomethane;2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Namebromomethane;2,3-dihydro-1-benzofuran
PubChem CID69259048
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Namebromomethane;2,3-dihydro-1-benzofuran
SMILESCBr.c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O.CH3Br/c1-2-4-8-7(3-1)5-6-9-8;1-2/h1-4H,5-6H2;1H3
InChIKeyCENOVLYSDOAJJD-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.63
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

2,3-dihydro-1-benzofuran;ethane
CID 54441538
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
CID 163793293
CID 163793293
1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)
CID 158598846
2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
CID 157163368
3,4-dihydro-2H-chromene;ethane
CID 91076984
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
CID 162269581
1-chloropentane;2,3-dihydro-1-benzofuran
CID 175276698
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
3,4-dihydro-2H-chromene;hydron;iron;lanthanum
CID 175145681
2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 153343499

Frequently Asked Questions

What is the IUPAC name of bromomethane;2,3-dihydro-1-benzofuran?
The IUPAC name of bromomethane;2,3-dihydro-1-benzofuran (CID 69259048) is bromomethane;2,3-dihydro-1-benzofuran.
What is the SMILES notation for bromomethane;2,3-dihydro-1-benzofuran?
The canonical SMILES for bromomethane;2,3-dihydro-1-benzofuran is CBr.c1ccc2c(c1)CCO2.
What is the InChIKey of bromomethane;2,3-dihydro-1-benzofuran?
The InChIKey is CENOVLYSDOAJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.CH3Br/c1-2-4-8-7(3-1)5-6-9-8;1-2/h1-4H,5-6H2;1H3.
What are the key properties of bromomethane;2,3-dihydro-1-benzofuran?
bromomethane;2,3-dihydro-1-benzofuran has a molecular weight of 215.09 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69259048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).