7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran

C15H10ClFO2 — CID 165400591

IUPAC7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran
SMILESCc1cc2cc(F)cc(Oc3cccc(Cl)c3)c2o1
InChIInChI=1S/C15H10ClFO2/c1-9-5-10-6-12(17)8-14(15(10)18-9)19-13-4-2-3-11(16)7-13/h2-8H,1H3
InChIKeyJWQULRIXUXQYKM-UHFFFAOYSA-N
MW276.69 g/mol
LogP5.33
Rot. Bonds2

About 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran

7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran (PubChem CID 165400591) has the molecular formula C15H10ClFO2 and a molecular weight of 276.69 g/mol. Its IUPAC name is 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran.

Molecular Properties

Compound Name7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran
PubChem CID165400591
Molecular FormulaC15H10ClFO2
Molecular Weight276.69 g/mol
Exact Mass276.04
IUPAC Name7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran
SMILESCc1cc2cc(F)cc(Oc3cccc(Cl)c3)c2o1
InChIInChI=1S/C15H10ClFO2/c1-9-5-10-6-12(17)8-14(15(10)18-9)19-13-4-2-3-11(16)7-13/h2-8H,1H3
InChIKeyJWQULRIXUXQYKM-UHFFFAOYSA-N
XLogP5.33
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.69
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-4-fluoroaniline
CID 62378026
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
CID 170985153
7-(3-chlorophenoxy)-1-benzofuran
CID 175270719
3-(3-chlorophenoxy)-5-fluoroaniline
CID 80752304
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
1,2,4-trichloro-5-(3-chlorophenoxy)benzene
CID 23274709
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran?
The IUPAC name of 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran (CID 165400591) is 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran.
What is the SMILES notation for 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran?
The canonical SMILES for 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran is Cc1cc2cc(F)cc(Oc3cccc(Cl)c3)c2o1.
What is the InChIKey of 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran?
The InChIKey is JWQULRIXUXQYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO2/c1-9-5-10-6-12(17)8-14(15(10)18-9)19-13-4-2-3-11(16)7-13/h2-8H,1H3.
What are the key properties of 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran?
7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran has a molecular weight of 276.69 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenoxy)-5-fluoro-2-methyl-1-benzofuran is sourced from PubChem (CID 165400591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).