[4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate

C24H20O7 — CID 18561631

IUPAC[4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate
SMILESCCOc1cccc2cc(-c3cc(=O)oc4cc(OC(=O)C(C)C)ccc34)c(=O)oc12
InChIInChI=1S/C24H20O7/c1-4-28-19-7-5-6-14-10-18(24(27)31-22(14)19)17-12-21(25)30-20-11-15(8-9-16(17)20)29-23(26)13(2)3/h5-13H,4H2,1-3H3
InChIKeyLPXZUPPRHYSFFW-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.53
Rot. Bonds5

About [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate

[4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate (PubChem CID 18561631) has the molecular formula C24H20O7 and a molecular weight of 420.42 g/mol. Its IUPAC name is [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate
PubChem CID18561631
Molecular FormulaC24H20O7
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC Name[4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate
SMILESCCOc1cccc2cc(-c3cc(=O)oc4cc(OC(=O)C(C)C)ccc34)c(=O)oc12
InChIInChI=1S/C24H20O7/c1-4-28-19-7-5-6-14-10-18(24(27)31-22(14)19)17-12-21(25)30-20-11-15(8-9-16(17)20)29-23(26)13(2)3/h5-13H,4H2,1-3H3
InChIKeyLPXZUPPRHYSFFW-UHFFFAOYSA-N
XLogP4.53
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-[7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxochromen-4-yl]-8-ethoxychromen-2-one
CID 95398900
[4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-bromobenzoate
CID 95397722
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate
CID 7198205
[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-7-phenylchromen-6-yl] 2-methylpropanoate
CID 44915623
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one
CID 908910
3-acetyl-8-ethoxychromen-2-one
CID 3266617
ethyl 1-[[4-(8-ethoxy-2-oxochromen-3-yl)-7-hydroxy-2-oxochromen-8-yl]methyl]piperidine-3-carboxylate
CID 110275897
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
CID 5207452
8-ethoxy-2-oxochromene-3-sulfonamide
CID 164628509

Frequently Asked Questions

What is the IUPAC name of [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate?
The IUPAC name of [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate (CID 18561631) is [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate.
What is the SMILES notation for [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate?
The canonical SMILES for [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate is CCOc1cccc2cc(-c3cc(=O)oc4cc(OC(=O)C(C)C)ccc34)c(=O)oc12.
What is the InChIKey of [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate?
The InChIKey is LPXZUPPRHYSFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O7/c1-4-28-19-7-5-6-14-10-18(24(27)31-22(14)19)17-12-21(25)30-20-11-15(8-9-16(17)20)29-23(26)13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate?
[4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate has a molecular weight of 420.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate is sourced from PubChem (CID 18561631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).