6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran

C15H12BrFO — CID 142226565

IUPAC6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran
SMILESCC1(c2ccc(F)cc2)OCc2cc(Br)ccc21
InChIInChI=1S/C15H12BrFO/c1-15(11-2-5-13(17)6-3-11)14-7-4-12(16)8-10(14)9-18-15/h2-8H,9H2,1H3
InChIKeyBCFWYTIVEUQQGV-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.38
Rot. Bonds1

About 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran

6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran (PubChem CID 142226565) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran.

Molecular Properties

Compound Name6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran
PubChem CID142226565
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran
SMILESCC1(c2ccc(F)cc2)OCc2cc(Br)ccc21
InChIInChI=1S/C15H12BrFO/c1-15(11-2-5-13(17)6-3-11)14-7-4-12(16)8-10(14)9-18-15/h2-8H,9H2,1H3
InChIKeyBCFWYTIVEUQQGV-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(+)-3-(5-Bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 10156486
(R)-(-)-3-(5-Bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 10134235
1-(4'-Fluorophenyl)-1-(3-dimethylaminopropyl)-5-bromophthalane
CID 10150457
3-(4-Bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914329
1,1'-Biphenyl, 3-bromo-4'-(ethoxymethyl)-
CID 3066125
5-Bromo-1,3-dihydro-2-benzofuran
CID 52988095
6-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 57803842
5-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 68488208
4-Bromo-11-oxatricyclo[6.2.1.0,2,7]undeca-2,4,6-triene
CID 90076640
6-bromo-1,1-dimethyl-3,4-dihydro-1H-2-benzopyran
CID 139328426
1,4-Epoxynaphthalene, 6,7-dibromo-1,4-dihydro-
CID 3254947
1-Bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene
CID 13354005

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran?
The IUPAC name of 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran (CID 142226565) is 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran.
What is the SMILES notation for 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran?
The canonical SMILES for 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran is CC1(c2ccc(F)cc2)OCc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran?
The InChIKey is BCFWYTIVEUQQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-15(11-2-5-13(17)6-3-11)14-7-4-12(16)8-10(14)9-18-15/h2-8H,9H2,1H3.
What are the key properties of 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran?
6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran has a molecular weight of 307.16 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-fluorophenyl)-3-methyl-1H-2-benzofuran is sourced from PubChem (CID 142226565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).