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

C16H14Br2O — CID 65311708

IUPAC5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESCc1ccc(Br)cc1C(Br)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14Br2O/c1-10-2-5-14(17)7-15(10)16(18)11-3-4-12-8-19-9-13(12)6-11/h2-7,16H,8-9H2,1H3
InChIKeyDZAJSIHGCXHBRU-UHFFFAOYSA-N
MW382.10 g/mol
LogP5.27
Rot. Bonds2

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

5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran (PubChem CID 65311708) has the molecular formula C16H14Br2O and a molecular weight of 382.10 g/mol. Its IUPAC name is 5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran
PubChem CID65311708
Molecular FormulaC16H14Br2O
Molecular Weight382.10 g/mol
Exact Mass379.94
IUPAC Name5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESCc1ccc(Br)cc1C(Br)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14Br2O/c1-10-2-5-14(17)7-15(10)16(18)11-3-4-12-8-19-9-13(12)6-11/h2-7,16H,8-9H2,1H3
InChIKeyDZAJSIHGCXHBRU-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.10
LogP ≤ 55.27
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-[bromo-(2,5-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144437
5-[bromo-(3,4-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144438
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144632
5-[bromo-(2,3-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63021319
5-[bromo-(2-bromo-5-iodophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 114026295
5-[(5-bromo-2-iodophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran
CID 114033434
1-(2,4-dibromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107950588
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydro-2-benzofuran
CID 63019930
4-bromo-2-[bromo-(4-butan-2-ylphenyl)methyl]-1-methylbenzene
CID 65311990
5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 107991858
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 63020408

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran (CID 65311708) is 5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran is Cc1ccc(Br)cc1C(Br)c1ccc2c(c1)COC2.
What is the InChIKey of 5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran?
The InChIKey is DZAJSIHGCXHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O/c1-10-2-5-14(17)7-15(10)16(18)11-3-4-12-8-19-9-13(12)6-11/h2-7,16H,8-9H2,1H3.
What are the key properties of 5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran?
5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran has a molecular weight of 382.10 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 65311708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).