6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one

C22H21Cl2NO4 — CID 21001713

IUPAC6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one
SMILESCc1ccc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2OCCN2CCOCC2)cc1
InChIInChI=1S/C22H21Cl2NO4/c1-14-2-4-15(5-3-14)20-22(28-11-8-25-6-9-27-10-7-25)19(26)17-12-16(23)13-18(24)21(17)29-20/h2-5,12-13H,6-11H2,1H3
InChIKeyATPYAVDZDTXZDB-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.79
Rot. Bonds5

About 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one

6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one (PubChem CID 21001713) has the molecular formula C22H21Cl2NO4 and a molecular weight of 434.32 g/mol. Its IUPAC name is 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one
PubChem CID21001713
Molecular FormulaC22H21Cl2NO4
Molecular Weight434.32 g/mol
Exact Mass433.08
IUPAC Name6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one
SMILESCc1ccc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2OCCN2CCOCC2)cc1
InChIInChI=1S/C22H21Cl2NO4/c1-14-2-4-15(5-3-14)20-22(28-11-8-25-6-9-27-10-7-25)19(26)17-12-16(23)13-18(24)21(17)29-20/h2-5,12-13H,6-11H2,1H3
InChIKeyATPYAVDZDTXZDB-UHFFFAOYSA-N
XLogP4.79
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
6,8-dichloro-3-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001729
6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
CID 7747823
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one
CID 39773615
6,8-dichloro-2-(4-methylphenyl)-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 21001730
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
CID 2995112
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
4-[2-[[5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 126471082
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride
CID 16813410

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one?
The IUPAC name of 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one (CID 21001713) is 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one.
What is the SMILES notation for 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one?
The canonical SMILES for 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one is Cc1ccc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2OCCN2CCOCC2)cc1.
What is the InChIKey of 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one?
The InChIKey is ATPYAVDZDTXZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO4/c1-14-2-4-15(5-3-14)20-22(28-11-8-25-6-9-27-10-7-25)19(26)17-12-16(23)13-18(24)21(17)29-20/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one?
6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one has a molecular weight of 434.32 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one is sourced from PubChem (CID 21001713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).