3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one

C18H15FO3 — CID 746742

IUPAC3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1
InChIInChI=1S/C18H15FO3/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11H,1-2H3
InChIKeyBZTQIVBTNKHMHV-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.39
Rot. Bonds3

About 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one

3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one (PubChem CID 746742) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one
PubChem CID746742
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1
InChIInChI=1S/C18H15FO3/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11H,1-2H3
InChIKeyBZTQIVBTNKHMHV-UHFFFAOYSA-N
XLogP4.39
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one?
The IUPAC name of 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one (CID 746742) is 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one is CC(C)Oc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one?
The InChIKey is BZTQIVBTNKHMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO3/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one?
3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one has a molecular weight of 298.31 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one is sourced from PubChem (CID 746742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).