7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one

C29H20F2O4 — CID 2365309

IUPAC7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc(OCc3ccc(F)cc3)c(OCc3ccc(F)cc3)c2o1
InChIInChI=1S/C29H20F2O4/c30-22-10-6-19(7-11-22)17-33-26-15-14-24-25(21-4-2-1-3-5-21)16-27(32)35-28(24)29(26)34-18-20-8-12-23(31)13-9-20/h1-16H,17-18H2
InChIKeyKNONQBGMTUYNRL-UHFFFAOYSA-N
MW470.47 g/mol
LogP6.90
Rot. Bonds7

About 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one

7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one (PubChem CID 2365309) has the molecular formula C29H20F2O4 and a molecular weight of 470.47 g/mol. Its IUPAC name is 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one.

Molecular Properties

Compound Name7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one
PubChem CID2365309
Molecular FormulaC29H20F2O4
Molecular Weight470.47 g/mol
Exact Mass470.13
IUPAC Name7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc(OCc3ccc(F)cc3)c(OCc3ccc(F)cc3)c2o1
InChIInChI=1S/C29H20F2O4/c30-22-10-6-19(7-11-22)17-33-26-15-14-24-25(21-4-2-1-3-5-21)16-27(32)35-28(24)29(26)34-18-20-8-12-23(31)13-9-20/h1-16H,17-18H2
InChIKeyKNONQBGMTUYNRL-UHFFFAOYSA-N
XLogP6.90
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one?
The IUPAC name of 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one (CID 2365309) is 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one.
What is the SMILES notation for 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one?
The canonical SMILES for 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one is O=c1cc(-c2ccccc2)c2ccc(OCc3ccc(F)cc3)c(OCc3ccc(F)cc3)c2o1.
What is the InChIKey of 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one?
The InChIKey is KNONQBGMTUYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F2O4/c30-22-10-6-19(7-11-22)17-33-26-15-14-24-25(21-4-2-1-3-5-21)16-27(32)35-28(24)29(26)34-18-20-8-12-23(31)13-9-20/h1-16H,17-18H2.
What are the key properties of 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one?
7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one has a molecular weight of 470.47 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one is sourced from PubChem (CID 2365309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).