2,2-bis(4-fluorophenyl)-6-methoxychromene

C22H16F2O2 — CID 71361633

IUPAC2,2-bis(4-fluorophenyl)-6-methoxychromene
SMILESCOc1ccc2c(c1)C=CC(c1ccc(F)cc1)(c1ccc(F)cc1)O2
InChIInChI=1S/C22H16F2O2/c1-25-20-10-11-21-15(14-20)12-13-22(26-21,16-2-6-18(23)7-3-16)17-4-8-19(24)9-5-17/h2-14H,1H3
InChIKeyVTDCXXGAHWZKKL-UHFFFAOYSA-N
MW350.36 g/mol
LogP5.32
Rot. Bonds3

About 2,2-bis(4-fluorophenyl)-6-methoxychromene

2,2-bis(4-fluorophenyl)-6-methoxychromene (PubChem CID 71361633) has the molecular formula C22H16F2O2 and a molecular weight of 350.36 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-6-methoxychromene.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-6-methoxychromene
PubChem CID71361633
Molecular FormulaC22H16F2O2
Molecular Weight350.36 g/mol
Exact Mass350.11
IUPAC Name2,2-bis(4-fluorophenyl)-6-methoxychromene
SMILESCOc1ccc2c(c1)C=CC(c1ccc(F)cc1)(c1ccc(F)cc1)O2
InChIInChI=1S/C22H16F2O2/c1-25-20-10-11-21-15(14-20)12-13-22(26-21,16-2-6-18(23)7-3-16)17-4-8-19(24)9-5-17/h2-14H,1H3
InChIKeyVTDCXXGAHWZKKL-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.36
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-6-methoxychromene?
The IUPAC name of 2,2-bis(4-fluorophenyl)-6-methoxychromene (CID 71361633) is 2,2-bis(4-fluorophenyl)-6-methoxychromene.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-6-methoxychromene?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-6-methoxychromene is COc1ccc2c(c1)C=CC(c1ccc(F)cc1)(c1ccc(F)cc1)O2.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-6-methoxychromene?
The InChIKey is VTDCXXGAHWZKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2O2/c1-25-20-10-11-21-15(14-20)12-13-22(26-21,16-2-6-18(23)7-3-16)17-4-8-19(24)9-5-17/h2-14H,1H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-6-methoxychromene?
2,2-bis(4-fluorophenyl)-6-methoxychromene has a molecular weight of 350.36 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-6-methoxychromene is sourced from PubChem (CID 71361633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).