6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

C28H27NO5 — CID 10072818

IUPAC6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
SMILESOc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)c1c-2oc2cc(O)ccc12
InChIInChI=1S/C28H27NO5/c30-19-6-10-22-24(16-19)34-28-23-11-7-20(31)17-25(23)33-27(26(22)28)18-4-8-21(9-5-18)32-15-14-29-12-2-1-3-13-29/h4-11,16-17,27,30-31H,1-3,12-15H2
InChIKeyGZZGPSDJPCNNQC-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.86
Rot. Bonds5

About 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol (PubChem CID 10072818) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol.

Molecular Properties

Compound Name6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
PubChem CID10072818
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Name6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
SMILESOc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)c1c-2oc2cc(O)ccc12
InChIInChI=1S/C28H27NO5/c30-19-6-10-22-24(16-19)34-28-23-11-7-20(31)17-25(23)33-27(26(22)28)18-4-8-21(9-5-18)32-15-14-29-12-2-1-3-13-29/h4-11,16-17,27,30-31H,1-3,12-15H2
InChIKeyGZZGPSDJPCNNQC-UHFFFAOYSA-N
XLogP5.86
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The IUPAC name of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol (CID 10072818) is 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol.
What is the SMILES notation for 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The canonical SMILES for 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol is Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)c1c-2oc2cc(O)ccc12.
What is the InChIKey of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The InChIKey is GZZGPSDJPCNNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO5/c30-19-6-10-22-24(16-19)34-28-23-11-7-20(31)17-25(23)33-27(26(22)28)18-4-8-21(9-5-18)32-15-14-29-12-2-1-3-13-29/h4-11,16-17,27,30-31H,1-3,12-15H2.
What are the key properties of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol has a molecular weight of 457.53 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol is sourced from PubChem (CID 10072818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).