2-benzyl-5-bromo-7-methoxy-1-benzofuran

C16H13BrO2 — CID 132548395

IUPAC2-benzyl-5-bromo-7-methoxy-1-benzofuran
SMILESCOc1cc(Br)cc2cc(Cc3ccccc3)oc12
InChIInChI=1S/C16H13BrO2/c1-18-15-10-13(17)8-12-9-14(19-16(12)15)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3
InChIKeyNJDMTQRBIBILBL-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.79
Rot. Bonds3

About 2-benzyl-5-bromo-7-methoxy-1-benzofuran

2-benzyl-5-bromo-7-methoxy-1-benzofuran (PubChem CID 132548395) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-benzyl-5-bromo-7-methoxy-1-benzofuran.

Molecular Properties

Compound Name2-benzyl-5-bromo-7-methoxy-1-benzofuran
PubChem CID132548395
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name2-benzyl-5-bromo-7-methoxy-1-benzofuran
SMILESCOc1cc(Br)cc2cc(Cc3ccccc3)oc12
InChIInChI=1S/C16H13BrO2/c1-18-15-10-13(17)8-12-9-14(19-16(12)15)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3
InChIKeyNJDMTQRBIBILBL-UHFFFAOYSA-N
XLogP4.79
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-5,7-dimethyl-1-benzofuran
CID 132609124
(2-benzyl-7-bromo-1-benzofuran-5-yl)methanol
CID 139561217
2-benzyl-6,7-dimethoxy-1-benzofuran-4-carbaldehyde
CID 22180849
5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
CID 19918528
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
5-bromo-7-methoxy-2-nitro-1-benzofuran
CID 71444459
6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid
CID 22180800
N-benzhydryl-6-bromo-8-methoxy-2-oxochromene-3-carboxamide
CID 2200526
6-bromo-3-(6-bromo-8-methoxy-2-oxochromene-3-carbonyl)-8-methoxychromen-2-one
CID 12002444
2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 161355740
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-bromo-7-methoxy-1-benzofuran?
The IUPAC name of 2-benzyl-5-bromo-7-methoxy-1-benzofuran (CID 132548395) is 2-benzyl-5-bromo-7-methoxy-1-benzofuran.
What is the SMILES notation for 2-benzyl-5-bromo-7-methoxy-1-benzofuran?
The canonical SMILES for 2-benzyl-5-bromo-7-methoxy-1-benzofuran is COc1cc(Br)cc2cc(Cc3ccccc3)oc12.
What is the InChIKey of 2-benzyl-5-bromo-7-methoxy-1-benzofuran?
The InChIKey is NJDMTQRBIBILBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c1-18-15-10-13(17)8-12-9-14(19-16(12)15)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3.
What are the key properties of 2-benzyl-5-bromo-7-methoxy-1-benzofuran?
2-benzyl-5-bromo-7-methoxy-1-benzofuran has a molecular weight of 317.18 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-bromo-7-methoxy-1-benzofuran is sourced from PubChem (CID 132548395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).