2-ethyl-3-(4-fluorophenyl)chromen-4-one

C17H13FO2 — CID 53234762

IUPAC2-ethyl-3-(4-fluorophenyl)chromen-4-one
SMILESCCc1oc2ccccc2c(=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H13FO2/c1-2-14-16(11-7-9-12(18)10-8-11)17(19)13-5-3-4-6-15(13)20-14/h3-10H,2H2,1H3
InChIKeyLDXYANXKXYATKS-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.16
Rot. Bonds2

About 2-ethyl-3-(4-fluorophenyl)chromen-4-one

2-ethyl-3-(4-fluorophenyl)chromen-4-one (PubChem CID 53234762) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluorophenyl)chromen-4-one.

Molecular Properties

Compound Name2-ethyl-3-(4-fluorophenyl)chromen-4-one
PubChem CID53234762
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name2-ethyl-3-(4-fluorophenyl)chromen-4-one
SMILESCCc1oc2ccccc2c(=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H13FO2/c1-2-14-16(11-7-9-12(18)10-8-11)17(19)13-5-3-4-6-15(13)20-14/h3-10H,2H2,1H3
InChIKeyLDXYANXKXYATKS-UHFFFAOYSA-N
XLogP4.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluorophenyl)chromen-4-one?
The IUPAC name of 2-ethyl-3-(4-fluorophenyl)chromen-4-one (CID 53234762) is 2-ethyl-3-(4-fluorophenyl)chromen-4-one.
What is the SMILES notation for 2-ethyl-3-(4-fluorophenyl)chromen-4-one?
The canonical SMILES for 2-ethyl-3-(4-fluorophenyl)chromen-4-one is CCc1oc2ccccc2c(=O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-3-(4-fluorophenyl)chromen-4-one?
The InChIKey is LDXYANXKXYATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2/c1-2-14-16(11-7-9-12(18)10-8-11)17(19)13-5-3-4-6-15(13)20-14/h3-10H,2H2,1H3.
What are the key properties of 2-ethyl-3-(4-fluorophenyl)chromen-4-one?
2-ethyl-3-(4-fluorophenyl)chromen-4-one has a molecular weight of 268.29 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluorophenyl)chromen-4-one is sourced from PubChem (CID 53234762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).