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

C15H13BrO — CID 61084687

IUPAC2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESBrC(c1ccccc1)C1Cc2ccccc2O1
InChIInChI=1S/C15H13BrO/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-9,14-15H,10H2
InChIKeyWPVLZQIEYPXMEX-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.13
Rot. Bonds2

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

2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 61084687) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID61084687
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESBrC(c1ccccc1)C1Cc2ccccc2O1
InChIInChI=1S/C15H13BrO/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-9,14-15H,10H2
InChIKeyWPVLZQIEYPXMEX-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.13
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-[bromo-(4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63437355
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442838
2-[bromo-(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63441694
(2R)-2-[(S)-bromo(phenyl)methyl]oxirane
CID 14961977
2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 65278611
2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 79730864
1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 43481050
2-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442871
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
2-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 55198304
(2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene
CID 71410185
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43625337

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran (CID 61084687) is 2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran is BrC(c1ccccc1)C1Cc2ccccc2O1.
What is the InChIKey of 2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is WPVLZQIEYPXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-9,14-15H,10H2.
What are the key properties of 2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran?
2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 289.17 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 61084687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).