ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

C29H36O7 — CID 162835668

IUPACethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
SMILESCCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OC2CCCCC2)CC(C(C)(C)O)O3)O1
InChIInChI=1S/C29H36O7/c1-4-33-28(31)24-14-20(17-10-12-18(30)13-11-17)26-23(35-24)16-22-21(15-25(36-22)29(2,3)32)27(26)34-19-8-6-5-7-9-19/h14,16,19,25,32H,4-13,15H2,1-3H3
InChIKeyFLXZDMSOWGVBTK-UHFFFAOYSA-N
MW496.60 g/mol
LogP5.21
Rot. Bonds5

About ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 162835668) has the molecular formula C29H36O7 and a molecular weight of 496.60 g/mol. Its IUPAC name is ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
PubChem CID162835668
Molecular FormulaC29H36O7
Molecular Weight496.60 g/mol
Exact Mass496.25
IUPAC Nameethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
SMILESCCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OC2CCCCC2)CC(C(C)(C)O)O3)O1
InChIInChI=1S/C29H36O7/c1-4-33-28(31)24-14-20(17-10-12-18(30)13-11-17)26-23(35-24)16-22-21(15-25(36-22)29(2,3)32)27(26)34-19-8-6-5-7-9-19/h14,16,19,25,32H,4-13,15H2,1-3H3
InChIKeyFLXZDMSOWGVBTK-UHFFFAOYSA-N
XLogP5.21
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate with MolForge

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Related Compounds

ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 162978120
ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 163149751
ethyl (2S,5Z)-5-[(3R)-3-benzyl-4-oxocyclohexylidene]-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 163102902
ethyl (2S,5Z)-2-[(1S)-1-cyclopentyl-1-hydroxyethyl]-5-[(3S)-3-(4-hydroxyphenyl)-4-oxocyclohexylidene]-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 163100201
ethyl (2S,5Z)-2-[(1S)-1-cyclopentyl-1-hydroxyethyl]-5-[(3R)-3-(1H-indol-5-yl)-4-oxocyclohexylidene]-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 163095588
ethyl (2S,5Z)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-5-[(3S)-3-(1H-indol-5-yl)-4-oxocyclohexylidene]-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 162829663
ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 163058940
ethyl (2S)-2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 162833932
ethyl (2S,5E)-2-[(1S)-1-cyclopentyl-1-hydroxyethyl]-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 162826966
(2R)-4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 162826084
ethyl (2S,5E)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 162983335
ethyl 2-(1-cyclopentyl-1-hydroxyethyl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 162826041

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The IUPAC name of ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 162835668) is ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.
What is the SMILES notation for ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The canonical SMILES for ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OC2CCCCC2)CC(C(C)(C)O)O3)O1.
What is the InChIKey of ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The InChIKey is FLXZDMSOWGVBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O7/c1-4-33-28(31)24-14-20(17-10-12-18(30)13-11-17)26-23(35-24)16-22-21(15-25(36-22)29(2,3)32)27(26)34-19-8-6-5-7-9-19/h14,16,19,25,32H,4-13,15H2,1-3H3.
What are the key properties of ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 496.60 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 162835668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).