2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one

C24H17ClO4 — CID 3316849

IUPAC2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
SMILESCC(Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)C(=O)c1ccccc1
InChIInChI=1S/C24H17ClO4/c1-15(21(26)16-7-3-2-4-8-16)28-24-22(27)19-9-5-6-10-20(19)29-23(24)17-11-13-18(25)14-12-17/h2-15H,1H3
InChIKeyNNCZRVYPHYNJAE-UHFFFAOYSA-N
MW404.85 g/mol
LogP5.76
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one

2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one (PubChem CID 3316849) has the molecular formula C24H17ClO4 and a molecular weight of 404.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
PubChem CID3316849
Molecular FormulaC24H17ClO4
Molecular Weight404.85 g/mol
Exact Mass404.08
IUPAC Name2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
SMILESCC(Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)C(=O)c1ccccc1
InChIInChI=1S/C24H17ClO4/c1-15(21(26)16-7-3-2-4-8-16)28-24-22(27)19-9-5-6-10-20(19)29-23(24)17-11-13-18(25)14-12-17/h2-15H,1H3
InChIKeyNNCZRVYPHYNJAE-UHFFFAOYSA-N
XLogP5.76
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-7-methyl-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 4126222
6,7-dimethyl-2-(4-methylphenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 20999491
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one
CID 46303321
2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
CID 46303284
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 20983860
ethyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 4112757
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303338
2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
CID 46303053

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one (CID 3316849) is 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one is CC(Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)C(=O)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one?
The InChIKey is NNCZRVYPHYNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClO4/c1-15(21(26)16-7-3-2-4-8-16)28-24-22(27)19-9-5-6-10-20(19)29-23(24)17-11-13-18(25)14-12-17/h2-15H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one?
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one has a molecular weight of 404.85 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one is sourced from PubChem (CID 3316849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).