7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one

C23H17FO5 — CID 1182864

IUPAC7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
SMILESCOc1ccc(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1
InChIInChI=1S/C23H17FO5/c1-26-17-6-8-18(9-7-17)29-22-14-28-21-12-19(10-11-20(21)23(22)25)27-13-15-2-4-16(24)5-3-15/h2-12,14H,13H2,1H3
InChIKeyVKMZDPMBXDRBJW-UHFFFAOYSA-N
MW392.38 g/mol
LogP5.31
Rot. Bonds6

About 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one

7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one (PubChem CID 1182864) has the molecular formula C23H17FO5 and a molecular weight of 392.38 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
PubChem CID1182864
Molecular FormulaC23H17FO5
Molecular Weight392.38 g/mol
Exact Mass392.11
IUPAC Name7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
SMILESCOc1ccc(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1
InChIInChI=1S/C23H17FO5/c1-26-17-6-8-18(9-7-17)29-22-14-28-21-12-19(10-11-20(21)23(22)25)27-13-15-2-4-16(24)5-3-15/h2-12,14H,13H2,1H3
InChIKeyVKMZDPMBXDRBJW-UHFFFAOYSA-N
XLogP5.31
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 163138200
3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one
CID 1033895
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 2357934
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
CID 163121299
N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 9372519
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 9372561
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3,3-dimethylbutanoate
CID 2791400
5-[[3-(4-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138917
3-(2-fluorophenoxy)-7-[[1-(4-fluorophenyl)pyrazol-4-yl]methoxy]chromen-4-one
CID 121476478
5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138904

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one (CID 1182864) is 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one is COc1ccc(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one?
The InChIKey is VKMZDPMBXDRBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FO5/c1-26-17-6-8-18(9-7-17)29-22-14-28-21-12-19(10-11-20(21)23(22)25)27-13-15-2-4-16(24)5-3-15/h2-12,14H,13H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one?
7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one has a molecular weight of 392.38 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one is sourced from PubChem (CID 1182864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).