2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene

C23H18F2O2 — CID 134962570

IUPAC2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene
SMILESCOc1ccc2c(c1)OC(c1ccc(F)cc1)=CC2(C)c1ccc(F)cc1
InChIInChI=1S/C23H18F2O2/c1-23(16-5-9-18(25)10-6-16)14-22(15-3-7-17(24)8-4-15)27-21-13-19(26-2)11-12-20(21)23/h3-14H,1-2H3
InChIKeyISYZMEBJLVBPLP-UHFFFAOYSA-N
MW364.39 g/mol
LogP5.71
Rot. Bonds3

About 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene

2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene (PubChem CID 134962570) has the molecular formula C23H18F2O2 and a molecular weight of 364.39 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene
PubChem CID134962570
Molecular FormulaC23H18F2O2
Molecular Weight364.39 g/mol
Exact Mass364.13
IUPAC Name2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene
SMILESCOc1ccc2c(c1)OC(c1ccc(F)cc1)=CC2(C)c1ccc(F)cc1
InChIInChI=1S/C23H18F2O2/c1-23(16-5-9-18(25)10-6-16)14-22(15-3-7-17(24)8-4-15)27-21-13-19(26-2)11-12-20(21)23/h3-14H,1-2H3
InChIKeyISYZMEBJLVBPLP-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.39
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene?
The IUPAC name of 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene (CID 134962570) is 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene is COc1ccc2c(c1)OC(c1ccc(F)cc1)=CC2(C)c1ccc(F)cc1.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene?
The InChIKey is ISYZMEBJLVBPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2O2/c1-23(16-5-9-18(25)10-6-16)14-22(15-3-7-17(24)8-4-15)27-21-13-19(26-2)11-12-20(21)23/h3-14H,1-2H3.
What are the key properties of 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene?
2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene has a molecular weight of 364.39 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-7-methoxy-4-methylchromene is sourced from PubChem (CID 134962570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).