ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate

C24H20O6 — CID 2790491

IUPACethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1
InChIInChI=1S/C24H20O6/c1-3-27-24(26)15(2)29-19-10-11-20-21(13-19)28-14-22(23(20)25)30-18-9-8-16-6-4-5-7-17(16)12-18/h4-15H,3H2,1-2H3
InChIKeyGZOPCUIMKQFGMM-UHFFFAOYSA-N
MW404.42 g/mol
LogP5.07
Rot. Bonds6

About ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate

ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate (PubChem CID 2790491) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
PubChem CID2790491
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Nameethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1
InChIInChI=1S/C24H20O6/c1-3-27-24(26)15(2)29-19-10-11-20-21(13-19)28-14-22(23(20)25)30-18-9-8-16-6-4-5-7-17(16)12-18/h4-15H,3H2,1-2H3
InChIKeyGZOPCUIMKQFGMM-UHFFFAOYSA-N
XLogP5.07
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxyethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 3358856
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
propyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxypropanoate
CID 4106290
benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate
CID 23879037
propyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 2790895
methyl (2S)-2-[3-(4-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 984092
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
2-methylpropyl 2-[4-oxo-3-(2-propan-2-ylphenoxy)chromen-7-yl]oxypropanoate
CID 4109829
methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 2918253
butan-2-yl 2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 3364539
propan-2-yl (2S)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1182863

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate?
The IUPAC name of ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate (CID 2790491) is ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate.
What is the SMILES notation for ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate?
The canonical SMILES for ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate is CCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1.
What is the InChIKey of ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate?
The InChIKey is GZOPCUIMKQFGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-3-27-24(26)15(2)29-19-10-11-20-21(13-19)28-14-22(23(20)25)30-18-9-8-16-6-4-5-7-17(16)12-18/h4-15H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate?
ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate has a molecular weight of 404.42 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate is sourced from PubChem (CID 2790491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).