4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran

C13H13BrO4 — CID 18526067

IUPAC4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran
SMILESCOc1ccc(Br)c2cc(C3(C)OCCO3)oc12
InChIInChI=1S/C13H13BrO4/c1-13(16-5-6-17-13)11-7-8-9(14)3-4-10(15-2)12(8)18-11/h3-4,7H,5-6H2,1-2H3
InChIKeyYJPWNQVYZXOAGF-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.42
Rot. Bonds2

About 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran

4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran (PubChem CID 18526067) has the molecular formula C13H13BrO4 and a molecular weight of 313.15 g/mol. Its IUPAC name is 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran.

Molecular Properties

Compound Name4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran
PubChem CID18526067
Molecular FormulaC13H13BrO4
Molecular Weight313.15 g/mol
Exact Mass312.00
IUPAC Name4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran
SMILESCOc1ccc(Br)c2cc(C3(C)OCCO3)oc12
InChIInChI=1S/C13H13BrO4/c1-13(16-5-6-17-13)11-7-8-9(14)3-4-10(15-2)12(8)18-11/h3-4,7H,5-6H2,1-2H3
InChIKeyYJPWNQVYZXOAGF-UHFFFAOYSA-N
XLogP3.42
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-1-benzofuran
CID 142854131
3-[7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran-4-yl]benzoic acid
CID 68538414
4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran
CID 86051374
1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone
CID 170895586
2-bromo-4-fluoro-7-methoxy-1-benzofuran
CID 83919585
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 82127880
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine;4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine
CID 70106372
2-(3-bromo-2,6-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138987118
2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 22735928
N-(4-bromo-3-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82857353

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran?
The IUPAC name of 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran (CID 18526067) is 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran.
What is the SMILES notation for 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran?
The canonical SMILES for 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran is COc1ccc(Br)c2cc(C3(C)OCCO3)oc12.
What is the InChIKey of 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran?
The InChIKey is YJPWNQVYZXOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO4/c1-13(16-5-6-17-13)11-7-8-9(14)3-4-10(15-2)12(8)18-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran?
4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran has a molecular weight of 313.15 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran is sourced from PubChem (CID 18526067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).