4-bromo-5-methoxy-2,3-dihydro-1-benzofuran

C9H9BrO2 — CID 83918290

IUPAC4-bromo-5-methoxy-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1Br)CCO2
InChIInChI=1S/C9H9BrO2/c1-11-8-3-2-7-6(9(8)10)4-5-12-7/h2-3H,4-5H2,1H3
InChIKeyPMDHFFJBVWKUQN-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.39
Rot. Bonds1

About 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran

4-bromo-5-methoxy-2,3-dihydro-1-benzofuran (PubChem CID 83918290) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-bromo-5-methoxy-2,3-dihydro-1-benzofuran
PubChem CID83918290
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name4-bromo-5-methoxy-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1Br)CCO2
InChIInChI=1S/C9H9BrO2/c1-11-8-3-2-7-6(9(8)10)4-5-12-7/h2-3H,4-5H2,1H3
InChIKeyPMDHFFJBVWKUQN-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2,3-dihydro-1-benzofuran-4-ol
CID 105432938
5-methoxy-2,3-dihydro-1-benzofuran-4-amine
CID 82373067
methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
CID 10081776
7-bromo-6-methoxy-2,3-dihydro-1-benzofuran
CID 84692337
(3R)-5-bromo-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 92864057
5-bromo-4-chloro-2,3-dihydro-1-benzofuran
CID 82374686
4-methoxy-2,3-dihydro-1-benzofuran-7-amine
CID 82373059
5-fluoro-6-methoxy-2,3-dihydrochromen-4-one
CID 55269506
7-bromo-6-methoxy-2,3-dihydrochromen-4-one
CID 84708948
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran
CID 66780375
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran (CID 83918290) is 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran is COc1ccc2c(c1Br)CCO2.
What is the InChIKey of 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran?
The InChIKey is PMDHFFJBVWKUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-11-8-3-2-7-6(9(8)10)4-5-12-7/h2-3H,4-5H2,1H3.
What are the key properties of 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran?
4-bromo-5-methoxy-2,3-dihydro-1-benzofuran has a molecular weight of 229.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 83918290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).