7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol

C25H19NO4 — CID 90667794

IUPAC7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESCOc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
InChIInChI=1S/C25H19NO4/c1-28-21-13-20-18(12-19(21)27)24-23(17-10-6-3-7-11-17)22(14-26-25(24)30-20)29-15-16-8-4-2-5-9-16/h2-14,27H,15H2,1H3
InChIKeyRNEIELQAKVEVTA-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.94
Rot. Bonds5

About 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol

7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (PubChem CID 90667794) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.

Molecular Properties

Compound Name7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
PubChem CID90667794
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESCOc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
InChIInChI=1S/C25H19NO4/c1-28-21-13-20-18(12-19(21)27)24-23(17-10-6-3-7-11-17)22(14-26-25(24)30-20)29-15-16-8-4-2-5-9-16/h2-14,27H,15H2,1H3
InChIKeyRNEIELQAKVEVTA-UHFFFAOYSA-N
XLogP5.94
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The IUPAC name of 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (CID 90667794) is 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.
What is the SMILES notation for 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The canonical SMILES for 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is COc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O.
What is the InChIKey of 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The InChIKey is RNEIELQAKVEVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c1-28-21-13-20-18(12-19(21)27)24-23(17-10-6-3-7-11-17)22(14-26-25(24)30-20)29-15-16-8-4-2-5-9-16/h2-14,27H,15H2,1H3.
What are the key properties of 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol has a molecular weight of 397.43 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is sourced from PubChem (CID 90667794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).