ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one

C26H26O6 — CID 142991566

IUPACethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one
SMILESC=C(Oc1cc(=O)oc2ccc(CC)cc12)c1c(O)c2cc(CC)ccc2oc1=O.CC
InChIInChI=1S/C24H20O6.C2H6/c1-4-14-6-8-18-16(10-14)20(12-21(25)29-18)28-13(3)22-23(26)17-11-15(5-2)7-9-19(17)30-24(22)27;1-2/h6-12,26H,3-5H2,1-2H3;1-2H3
InChIKeyDYTKRZQDAAYFFO-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.81
Rot. Bonds5

About ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one

ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one (PubChem CID 142991566) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Nameethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one
PubChem CID142991566
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Nameethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one
SMILESC=C(Oc1cc(=O)oc2ccc(CC)cc12)c1c(O)c2cc(CC)ccc2oc1=O.CC
InChIInChI=1S/C24H20O6.C2H6/c1-4-14-6-8-18-16(10-14)20(12-21(25)29-18)28-13(3)22-23(26)17-11-15(5-2)7-9-19(17)30-24(22)27;1-2/h6-12,26H,3-5H2,1-2H3;1-2H3
InChIKeyDYTKRZQDAAYFFO-UHFFFAOYSA-N
XLogP5.81
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromoacetyl)-6-[[3-(2-bromoacetyl)-4-hydroxy-2-oxochromen-6-yl]methyl]-4-hydroxychromen-2-one
CID 54745952
7-ethyl-4-methylchromen-2-one
CID 5160585
6-ethyl-4-[[ethyl(2-hydroxyethyl)amino]methyl]chromen-2-one
CID 7198680
4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one
CID 908910
6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one
CID 143310064
(4-fluorophenyl) 5-ethyl-3-methyl-1-benzofuran-2-carboxylate
CID 2964614
ethyl 4-hydroxy-6-(3-hydroxypropoxy)-2-oxochromene-3-carboxylate
CID 174466554
6-chloro-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-4-hydroxychromen-2-one
CID 137316863
3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-4-hydroxy-6-methylchromen-2-one
CID 137306635
6-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 665648
4-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methyl]-6-ethylchromen-2-one;dihydrochloride
CID 172897450
6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-quinolin-3-ylmethyl]-4-hydroxychromen-2-one
CID 59746720

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one?
The IUPAC name of ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one (CID 142991566) is ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one.
What is the SMILES notation for ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one?
The canonical SMILES for ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one is C=C(Oc1cc(=O)oc2ccc(CC)cc12)c1c(O)c2cc(CC)ccc2oc1=O.CC.
What is the InChIKey of ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one?
The InChIKey is DYTKRZQDAAYFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6.C2H6/c1-4-14-6-8-18-16(10-14)20(12-21(25)29-18)28-13(3)22-23(26)17-11-15(5-2)7-9-19(17)30-24(22)27;1-2/h6-12,26H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one?
ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one has a molecular weight of 434.49 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one is sourced from PubChem (CID 142991566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).