7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one

C25H19Cl2FO4 — CID 2423761

IUPAC7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one
SMILESCCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2FO4/c1-3-15-10-20-23(12-22(15)30-13-16-4-5-17(26)11-21(16)27)31-14(2)25(24(20)29)32-19-8-6-18(28)7-9-19/h4-12H,3,13H2,1-2H3
InChIKeyKSFNPFVCCPVJJX-UHFFFAOYSA-N
MW473.33 g/mol
LogP7.48
Rot. Bonds6

About 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one

7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one (PubChem CID 2423761) has the molecular formula C25H19Cl2FO4 and a molecular weight of 473.33 g/mol. Its IUPAC name is 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one.

Molecular Properties

Compound Name7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one
PubChem CID2423761
Molecular FormulaC25H19Cl2FO4
Molecular Weight473.33 g/mol
Exact Mass472.06
IUPAC Name7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one
SMILESCCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2FO4/c1-3-15-10-20-23(12-22(15)30-13-16-4-5-17(26)11-21(16)27)31-14(2)25(24(20)29)32-19-8-6-18(28)7-9-19/h4-12H,3,13H2,1-2H3
InChIKeyKSFNPFVCCPVJJX-UHFFFAOYSA-N
XLogP7.48
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.33
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one?
The IUPAC name of 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one (CID 2423761) is 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one.
What is the SMILES notation for 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one?
The canonical SMILES for 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one is CCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2cc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one?
The InChIKey is KSFNPFVCCPVJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2FO4/c1-3-15-10-20-23(12-22(15)30-13-16-4-5-17(26)11-21(16)27)31-14(2)25(24(20)29)32-19-8-6-18(28)7-9-19/h4-12H,3,13H2,1-2H3.
What are the key properties of 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one?
7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one has a molecular weight of 473.33 g/mol, XLogP of 7.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one is sourced from PubChem (CID 2423761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).