3-bromo-4-methoxy-2-phenyl-1-benzofuran

C15H11BrO2 — CID 787467

IUPAC3-bromo-4-methoxy-2-phenyl-1-benzofuran
SMILESCOc1cccc2oc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C15H11BrO2/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyZCWHIQUZPCNEFL-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.87
Rot. Bonds2

About 3-bromo-4-methoxy-2-phenyl-1-benzofuran

3-bromo-4-methoxy-2-phenyl-1-benzofuran (PubChem CID 787467) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-bromo-4-methoxy-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name3-bromo-4-methoxy-2-phenyl-1-benzofuran
PubChem CID787467
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name3-bromo-4-methoxy-2-phenyl-1-benzofuran
SMILESCOc1cccc2oc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C15H11BrO2/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyZCWHIQUZPCNEFL-UHFFFAOYSA-N
XLogP4.87
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Visnagin
CID 6716
Moracin M
CID 185848
Pongamol
CID 689051
Licocoumarone
CID 503731
Oroselone
CID 74477
Gancaonin I
CID 480777
Anhydrovariabilin
CID 624785
4,8-Dimethyl-2H-furo(2,3-h)-1-benzopyran-2-one
CID 61322
Vignafuran
CID 441958
Allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine
CID 447559
Lanceolatin B
CID 10978265
Centrolobofuran
CID 641806

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-2-phenyl-1-benzofuran?
The IUPAC name of 3-bromo-4-methoxy-2-phenyl-1-benzofuran (CID 787467) is 3-bromo-4-methoxy-2-phenyl-1-benzofuran.
What is the SMILES notation for 3-bromo-4-methoxy-2-phenyl-1-benzofuran?
The canonical SMILES for 3-bromo-4-methoxy-2-phenyl-1-benzofuran is COc1cccc2oc(-c3ccccc3)c(Br)c12.
What is the InChIKey of 3-bromo-4-methoxy-2-phenyl-1-benzofuran?
The InChIKey is ZCWHIQUZPCNEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 3-bromo-4-methoxy-2-phenyl-1-benzofuran?
3-bromo-4-methoxy-2-phenyl-1-benzofuran has a molecular weight of 303.16 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-2-phenyl-1-benzofuran is sourced from PubChem (CID 787467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).