(1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran

C9H9BrO2 — CID 86339095

IUPAC(1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran
SMILESCO[C@@H]1OCc2ccc(Br)cc21
InChIInChI=1S/C9H9BrO2/c1-11-9-8-4-7(10)3-2-6(8)5-12-9/h2-4,9H,5H2,1H3/t9-/m1/s1
InChIKeyDPCBHHGEVFYHBI-SECBINFHSA-N
MW229.07 g/mol
LogP2.62
Rot. Bonds1

About (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran

(1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran (PubChem CID 86339095) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name(1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran
PubChem CID86339095
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name(1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran
SMILESCO[C@@H]1OCc2ccc(Br)cc21
InChIInChI=1S/C9H9BrO2/c1-11-9-8-4-7(10)3-2-6(8)5-12-9/h2-4,9H,5H2,1H3/t9-/m1/s1
InChIKeyDPCBHHGEVFYHBI-SECBINFHSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran?
The IUPAC name of (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran (CID 86339095) is (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran.
What is the SMILES notation for (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran?
The canonical SMILES for (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran is CO[C@@H]1OCc2ccc(Br)cc21.
What is the InChIKey of (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran?
The InChIKey is DPCBHHGEVFYHBI-SECBINFHSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-11-9-8-4-7(10)3-2-6(8)5-12-9/h2-4,9H,5H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran?
(1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran has a molecular weight of 229.07 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 86339095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).