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

C27H37NO6 — CID 162983334

IUPACethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
SMILESCCOC(=O)C1=CC(=CCC(C)C)c2c(cc3c(c2OC)CC(C(C)(O)C2CCNCC2)O3)O1
InChIInChI=1S/C27H37NO6/c1-6-32-26(29)22-13-17(8-7-16(2)3)24-21(33-22)15-20-19(25(24)31-5)14-23(34-20)27(4,30)18-9-11-28-12-10-18/h8,13,15-16,18,23,28,30H,6-7,9-12,14H2,1-5H3
InChIKeyWOJUEKLNFNYJME-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.02
Rot. Bonds7

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

ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 162983334) has the molecular formula C27H37NO6 and a molecular weight of 471.59 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
PubChem CID162983334
Molecular FormulaC27H37NO6
Molecular Weight471.59 g/mol
Exact Mass471.26
IUPAC Nameethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
SMILESCCOC(=O)C1=CC(=CCC(C)C)c2c(cc3c(c2OC)CC(C(C)(O)C2CCNCC2)O3)O1
InChIInChI=1S/C27H37NO6/c1-6-32-26(29)22-13-17(8-7-16(2)3)24-21(33-22)15-20-19(25(24)31-5)14-23(34-20)27(4,30)18-9-11-28-12-10-18/h8,13,15-16,18,23,28,30H,6-7,9-12,14H2,1-5H3
InChIKeyWOJUEKLNFNYJME-UHFFFAOYSA-N
XLogP4.02
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The IUPAC name of ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 162983334) is ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.
What is the SMILES notation for ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The canonical SMILES for ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is CCOC(=O)C1=CC(=CCC(C)C)c2c(cc3c(c2OC)CC(C(C)(O)C2CCNCC2)O3)O1.
What is the InChIKey of ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The InChIKey is WOJUEKLNFNYJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO6/c1-6-32-26(29)22-13-17(8-7-16(2)3)24-21(33-22)15-20-19(25(24)31-5)14-23(34-20)27(4,30)18-9-11-28-12-10-18/h8,13,15-16,18,23,28,30H,6-7,9-12,14H2,1-5H3.
What are the key properties of ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 471.59 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-5-(3-methylbutylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 162983334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).