3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one

C23H17ClO4 — CID 1188451

IUPAC3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one
SMILESO=c1c(Oc2ccccc2Cl)coc2cc(OCCc3ccccc3)ccc12
InChIInChI=1S/C23H17ClO4/c24-19-8-4-5-9-20(19)28-22-15-27-21-14-17(10-11-18(21)23(22)25)26-13-12-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2
InChIKeyUWENUHMACWRVOF-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.86
Rot. Bonds6

About 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one

3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one (PubChem CID 1188451) has the molecular formula C23H17ClO4 and a molecular weight of 392.84 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one
PubChem CID1188451
Molecular FormulaC23H17ClO4
Molecular Weight392.84 g/mol
Exact Mass392.08
IUPAC Name3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one
SMILESO=c1c(Oc2ccccc2Cl)coc2cc(OCCc3ccccc3)ccc12
InChIInChI=1S/C23H17ClO4/c24-19-8-4-5-9-20(19)28-22-15-27-21-14-17(10-11-18(21)23(22)25)26-13-12-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2
InChIKeyUWENUHMACWRVOF-UHFFFAOYSA-N
XLogP5.86
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxy-2-methylpropanoic acid
CID 20984792
propyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 2790895
3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid
CID 22682676
4-[3-(2-tert-butylphenoxy)-4-oxochromen-7-yl]oxybutanoic acid
CID 22688043
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404
3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one
CID 984812
2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 2001934
N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide
CID 1193132
3-[4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxypropanoic acid
CID 22681346
6-(2-phenylethoxy)chromen-4-one
CID 57379747

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one?
The IUPAC name of 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one (CID 1188451) is 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one.
What is the SMILES notation for 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one?
The canonical SMILES for 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one is O=c1c(Oc2ccccc2Cl)coc2cc(OCCc3ccccc3)ccc12.
What is the InChIKey of 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one?
The InChIKey is UWENUHMACWRVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClO4/c24-19-8-4-5-9-20(19)28-22-15-27-21-14-17(10-11-18(21)23(22)25)26-13-12-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2.
What are the key properties of 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one?
3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one has a molecular weight of 392.84 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one is sourced from PubChem (CID 1188451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).