7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran

C17H16BrFO2 — CID 79698697

IUPAC7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2cccc(OCc3cc(F)cc(Br)c3)c2O1
InChIInChI=1S/C17H16BrFO2/c1-17(2)9-12-4-3-5-15(16(12)21-17)20-10-11-6-13(18)8-14(19)7-11/h3-8H,9-10H2,1-2H3
InChIKeyFGEAEMGRBQNZCR-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.88
Rot. Bonds3

About 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran

7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran (PubChem CID 79698697) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran
PubChem CID79698697
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2cccc(OCc3cc(F)cc(Br)c3)c2O1
InChIInChI=1S/C17H16BrFO2/c1-17(2)9-12-4-3-5-15(16(12)21-17)20-10-11-6-13(18)8-14(19)7-11/h3-8H,9-10H2,1-2H3
InChIKeyFGEAEMGRBQNZCR-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran (CID 79698697) is 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran is CC1(C)Cc2cccc(OCc3cc(F)cc(Br)c3)c2O1.
What is the InChIKey of 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is FGEAEMGRBQNZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c1-17(2)9-12-4-3-5-15(16(12)21-17)20-10-11-6-13(18)8-14(19)7-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran?
7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 351.22 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 79698697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).