7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran

C15H9BrClFO2 — CID 170972975

IUPAC7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran
SMILESFc1cc2c(Cl)ccc(COc3ccccc3Br)c2o1
InChIInChI=1S/C15H9BrClFO2/c16-11-3-1-2-4-13(11)19-8-9-5-6-12(17)10-7-14(18)20-15(9)10/h1-7H,8H2
InChIKeyDETGICAAWBWOHO-UHFFFAOYSA-N
MW355.59 g/mol
LogP5.57
Rot. Bonds3

About 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran

7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran (PubChem CID 170972975) has the molecular formula C15H9BrClFO2 and a molecular weight of 355.59 g/mol. Its IUPAC name is 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran.

Molecular Properties

Compound Name7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran
PubChem CID170972975
Molecular FormulaC15H9BrClFO2
Molecular Weight355.59 g/mol
Exact Mass353.95
IUPAC Name7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran
SMILESFc1cc2c(Cl)ccc(COc3ccccc3Br)c2o1
InChIInChI=1S/C15H9BrClFO2/c16-11-3-1-2-4-13(11)19-8-9-5-6-12(17)10-7-14(18)20-15(9)10/h1-7H,8H2
InChIKeyDETGICAAWBWOHO-UHFFFAOYSA-N
XLogP5.57
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.59
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-6-chloro-7-fluoro-1-benzofuran
CID 146082035
1-(4-Chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one
CID 22144759
5-Fluoro-6-chloro-7-bromobenzofuran
CID 22277281
7-Bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran
CID 67186500
4-Chloro-7-fluoro-2-phenyl-1-benzofuran
CID 140262789
3-Bromo-7-chloro-2-fluorodibenzofuran
CID 155007785
7-Bromo-1-chloro-8-fluorodibenzofuran
CID 155007845
3-Bromo-7-chloro-4-fluorodibenzofuran
CID 155007924
2-Bromo-3-chloro-8-fluorodibenzofuran
CID 155484375
6-Bromo-3-chloro-1-fluorodibenzofuran
CID 155763676
3-Bromo-7-chloro-1-fluorodibenzofuran
CID 155763700
1-Bromo-7-chloro-3-fluorodibenzofuran
CID 155763719

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran?
The IUPAC name of 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran (CID 170972975) is 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran.
What is the SMILES notation for 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran?
The canonical SMILES for 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran is Fc1cc2c(Cl)ccc(COc3ccccc3Br)c2o1.
What is the InChIKey of 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran?
The InChIKey is DETGICAAWBWOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFO2/c16-11-3-1-2-4-13(11)19-8-9-5-6-12(17)10-7-14(18)20-15(9)10/h1-7H,8H2.
What are the key properties of 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran?
7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran has a molecular weight of 355.59 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran is sourced from PubChem (CID 170972975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).