2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran

C16H14ClFO2 — CID 82727713

IUPAC2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(COc1ccc(Cl)c(F)c1)O2
InChIInChI=1S/C16H14ClFO2/c1-10-2-5-16-11(6-10)7-13(20-16)9-19-12-3-4-14(17)15(18)8-12/h2-6,8,13H,7,9H2,1H3
InChIKeyKJLFHMLSJXIPBQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.17
Rot. Bonds3

About 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran

2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 82727713) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID82727713
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(COc1ccc(Cl)c(F)c1)O2
InChIInChI=1S/C16H14ClFO2/c1-10-2-5-16-11(6-10)7-13(20-16)9-19-12-3-4-14(17)15(18)8-12/h2-6,8,13H,7,9H2,1H3
InChIKeyKJLFHMLSJXIPBQ-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran (CID 82727713) is 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)CC(COc1ccc(Cl)c(F)c1)O2.
What is the InChIKey of 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is KJLFHMLSJXIPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-10-2-5-16-11(6-10)7-13(20-16)9-19-12-3-4-14(17)15(18)8-12/h2-6,8,13H,7,9H2,1H3.
What are the key properties of 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 292.74 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 82727713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).