ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

C23H29NO6 — CID 163058940

IUPACethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
SMILESC=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H]([C@](C)(O)C1CCNCC1)O3
InChIInChI=1S/C23H29NO6/c1-5-28-22(25)18-10-13(2)20-17(29-18)12-16-15(21(20)27-4)11-19(30-16)23(3,26)14-6-8-24-9-7-14/h10,12,14,19,24,26H,2,5-9,11H2,1,3-4H3/t19-,23+/m0/s1
InChIKeyUFLAFJMUIQOVFQ-WMZHIEFXSA-N
MW415.49 g/mol
LogP2.60
Rot. Bonds5

About ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 163058940) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
PubChem CID163058940
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Nameethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
SMILESC=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H]([C@](C)(O)C1CCNCC1)O3
InChIInChI=1S/C23H29NO6/c1-5-28-22(25)18-10-13(2)20-17(29-18)12-16-15(21(20)27-4)11-19(30-16)23(3,26)14-6-8-24-9-7-14/h10,12,14,19,24,26H,2,5-9,11H2,1,3-4H3/t19-,23+/m0/s1
InChIKeyUFLAFJMUIQOVFQ-WMZHIEFXSA-N
XLogP2.60
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 162983334
ethyl (2S,5E)-5-[2-(2,3-dihydro-1H-imidazol-1-ium-1-yl)ethylidene]-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 163125219
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
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 2-(1-cyclopentyl-1-hydroxyethyl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 162826041
ethyl (2S,5E)-5-[2-[2-[(2R,4S,5R)-2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl]imidazol-1-yl]ethylidene]-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 163126311
ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 163130087
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)-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 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
CID 162835668

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The IUPAC name of 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) is ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.
What is the SMILES notation for ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The canonical SMILES for ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H]([C@](C)(O)C1CCNCC1)O3.
What is the InChIKey of ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The InChIKey is UFLAFJMUIQOVFQ-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H29NO6/c1-5-28-22(25)18-10-13(2)20-17(29-18)12-16-15(21(20)27-4)11-19(30-16)23(3,26)14-6-8-24-9-7-14/h10,12,14,19,24,26H,2,5-9,11H2,1,3-4H3/t19-,23+/m0/s1.
What are the key properties of ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 415.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(1R)-1-hydroxy-1-piperidin-4-ylethyl]-4-methoxy-5-methylidene-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 163058940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).