3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene

C26H19FO2 — CID 3104875

IUPAC3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C26H19FO2/c1-28-20-13-11-19(12-14-20)26(23-8-4-5-9-24(23)27)17-16-22-21-7-3-2-6-18(21)10-15-25(22)29-26/h2-17H,1H3
InChIKeyLIENQRNQTPPNAN-UHFFFAOYSA-N
MW382.43 g/mol
LogP6.34
Rot. Bonds3

About 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene

3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene (PubChem CID 3104875) has the molecular formula C26H19FO2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
PubChem CID3104875
Molecular FormulaC26H19FO2
Molecular Weight382.43 g/mol
Exact Mass382.14
IUPAC Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C26H19FO2/c1-28-20-13-11-19(12-14-20)26(23-8-4-5-9-24(23)27)17-16-22-21-7-3-2-6-18(21)10-15-25(22)29-26/h2-17H,1H3
InChIKeyLIENQRNQTPPNAN-UHFFFAOYSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene?
The IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene (CID 3104875) is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene?
The canonical SMILES for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene is COc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene?
The InChIKey is LIENQRNQTPPNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FO2/c1-28-20-13-11-19(12-14-20)26(23-8-4-5-9-24(23)27)17-16-22-21-7-3-2-6-18(21)10-15-25(22)29-26/h2-17H,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene?
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene has a molecular weight of 382.43 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene is sourced from PubChem (CID 3104875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).