4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran

C19H12ClFO2 — CID 135171555

IUPAC4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran
SMILESCOc1ccc(Cl)cc1-c1c(F)ccc2c1oc1ccccc12
InChIInChI=1S/C19H12ClFO2/c1-22-16-9-6-11(20)10-14(16)18-15(21)8-7-13-12-4-2-3-5-17(12)23-19(13)18/h2-10H,1H3
InChIKeyUGSZCOBEDDTETH-UHFFFAOYSA-N
MW326.75 g/mol
LogP6.05
Rot. Bonds2

About 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran

4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran (PubChem CID 135171555) has the molecular formula C19H12ClFO2 and a molecular weight of 326.75 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran
PubChem CID135171555
Molecular FormulaC19H12ClFO2
Molecular Weight326.75 g/mol
Exact Mass326.05
IUPAC Name4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran
SMILESCOc1ccc(Cl)cc1-c1c(F)ccc2c1oc1ccccc12
InChIInChI=1S/C19H12ClFO2/c1-22-16-9-6-11(20)10-14(16)18-15(21)8-7-13-12-4-2-3-5-17(12)23-19(13)18/h2-10H,1H3
InChIKeyUGSZCOBEDDTETH-UHFFFAOYSA-N
XLogP6.05
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.75
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran 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 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran (CID 135171555) is 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran is COc1ccc(Cl)cc1-c1c(F)ccc2c1oc1ccccc12.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran?
The InChIKey is UGSZCOBEDDTETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFO2/c1-22-16-9-6-11(20)10-14(16)18-15(21)8-7-13-12-4-2-3-5-17(12)23-19(13)18/h2-10H,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran?
4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran has a molecular weight of 326.75 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran is sourced from PubChem (CID 135171555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).