3-(2-fluorophenyl)-3-phenylbenzo[f]chromene

C25H17FO — CID 22590671

IUPAC3-(2-fluorophenyl)-3-phenylbenzo[f]chromene
SMILESFc1ccccc1C1(c2ccccc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C25H17FO/c26-23-13-7-6-12-22(23)25(19-9-2-1-3-10-19)17-16-21-20-11-5-4-8-18(20)14-15-24(21)27-25/h1-17H
InChIKeyMCVPGJCHZIEYLN-UHFFFAOYSA-N
MW352.41 g/mol
LogP6.33
Rot. Bonds2

About 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene

3-(2-fluorophenyl)-3-phenylbenzo[f]chromene (PubChem CID 22590671) has the molecular formula C25H17FO and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-phenylbenzo[f]chromene
PubChem CID22590671
Molecular FormulaC25H17FO
Molecular Weight352.41 g/mol
Exact Mass352.13
IUPAC Name3-(2-fluorophenyl)-3-phenylbenzo[f]chromene
SMILESFc1ccccc1C1(c2ccccc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C25H17FO/c26-23-13-7-6-12-22(23)25(19-9-2-1-3-10-19)17-16-21-20-11-5-4-8-18(20)14-15-24(21)27-25/h1-17H
InChIKeyMCVPGJCHZIEYLN-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene?
The IUPAC name of 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene (CID 22590671) is 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene.
What is the SMILES notation for 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene?
The canonical SMILES for 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene is Fc1ccccc1C1(c2ccccc2)C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene?
The InChIKey is MCVPGJCHZIEYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FO/c26-23-13-7-6-12-22(23)25(19-9-2-1-3-10-19)17-16-21-20-11-5-4-8-18(20)14-15-24(21)27-25/h1-17H.
What are the key properties of 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene?
3-(2-fluorophenyl)-3-phenylbenzo[f]chromene has a molecular weight of 352.41 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-phenylbenzo[f]chromene is sourced from PubChem (CID 22590671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).