2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran

C16H13FO2 — CID 117184713

IUPAC2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran
SMILESCc1cccc2oc(COc3ccc(F)cc3)cc12
InChIInChI=1S/C16H13FO2/c1-11-3-2-4-16-15(11)9-14(19-16)10-18-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3
InChIKeyBUMMZCXOOPOBOC-UHFFFAOYSA-N
MW256.28 g/mol
LogP4.46
Rot. Bonds3

About 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran

2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran (PubChem CID 117184713) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran
PubChem CID117184713
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran
SMILESCc1cccc2oc(COc3ccc(F)cc3)cc12
InChIInChI=1S/C16H13FO2/c1-11-3-2-4-16-15(11)9-14(19-16)10-18-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3
InChIKeyBUMMZCXOOPOBOC-UHFFFAOYSA-N
XLogP4.46
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenoxy)methyl]-4-methyl-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 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran (CID 117184713) is 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran is Cc1cccc2oc(COc3ccc(F)cc3)cc12.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran?
The InChIKey is BUMMZCXOOPOBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-11-3-2-4-16-15(11)9-14(19-16)10-18-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran?
2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran has a molecular weight of 256.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran is sourced from PubChem (CID 117184713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).