3-(2-bromoethyl)-4-methoxy-1-benzofuran

C11H11BrO2 — CID 121364894

IUPAC3-(2-bromoethyl)-4-methoxy-1-benzofuran
SMILESCOc1cccc2occ(CCBr)c12
InChIInChI=1S/C11H11BrO2/c1-13-9-3-2-4-10-11(9)8(5-6-12)7-14-10/h2-4,7H,5-6H2,1H3
InChIKeyOXSAUVIQSTXBAU-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.38
Rot. Bonds3

About 3-(2-bromoethyl)-4-methoxy-1-benzofuran

3-(2-bromoethyl)-4-methoxy-1-benzofuran (PubChem CID 121364894) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-(2-bromoethyl)-4-methoxy-1-benzofuran.

Molecular Properties

Compound Name3-(2-bromoethyl)-4-methoxy-1-benzofuran
PubChem CID121364894
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name3-(2-bromoethyl)-4-methoxy-1-benzofuran
SMILESCOc1cccc2occ(CCBr)c12
InChIInChI=1S/C11H11BrO2/c1-13-9-3-2-4-10-11(9)8(5-6-12)7-14-10/h2-4,7H,5-6H2,1H3
InChIKeyOXSAUVIQSTXBAU-UHFFFAOYSA-N
XLogP3.38
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methoxy-3-methyl-1-benzofuran
CID 142181981
acetylene;1-(2-bromoethyl)-2-methoxybenzene
CID 143927772
2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine
CID 117119202
3-iodo-5-methoxychromen-4-one
CID 11514968
[3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170223
3-(4-methoxy-1-benzofuran-3-yl)butanoic acid
CID 117119216
1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209
4-chloro-3-(methoxymethyl)-1-benzofuran
CID 117170460
3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol
CID 167469231
2-bromo-1-(3-bromopropyl)-3-methoxybenzene
CID 119022579
2-(7-methoxy-1-benzofuran-3-yl)ethanol
CID 22662935
2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117170357

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-4-methoxy-1-benzofuran?
The IUPAC name of 3-(2-bromoethyl)-4-methoxy-1-benzofuran (CID 121364894) is 3-(2-bromoethyl)-4-methoxy-1-benzofuran.
What is the SMILES notation for 3-(2-bromoethyl)-4-methoxy-1-benzofuran?
The canonical SMILES for 3-(2-bromoethyl)-4-methoxy-1-benzofuran is COc1cccc2occ(CCBr)c12.
What is the InChIKey of 3-(2-bromoethyl)-4-methoxy-1-benzofuran?
The InChIKey is OXSAUVIQSTXBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-13-9-3-2-4-10-11(9)8(5-6-12)7-14-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(2-bromoethyl)-4-methoxy-1-benzofuran?
3-(2-bromoethyl)-4-methoxy-1-benzofuran has a molecular weight of 255.11 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-4-methoxy-1-benzofuran is sourced from PubChem (CID 121364894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).