4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol

C24H16ClNO3 — CID 46702727

IUPAC4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESOc1ccc2oc3ncc(OCc4ccccc4)c(-c4cccc(Cl)c4)c3c2c1
InChIInChI=1S/C24H16ClNO3/c25-17-8-4-7-16(11-17)22-21(28-14-15-5-2-1-3-6-15)13-26-24-23(22)19-12-18(27)9-10-20(19)29-24/h1-13,27H,14H2
InChIKeyFDZGNOBUUDIZIX-UHFFFAOYSA-N
MW401.85 g/mol
LogP6.59
Rot. Bonds4

About 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol

4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (PubChem CID 46702727) has the molecular formula C24H16ClNO3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
PubChem CID46702727
Molecular FormulaC24H16ClNO3
Molecular Weight401.85 g/mol
Exact Mass401.08
IUPAC Name4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESOc1ccc2oc3ncc(OCc4ccccc4)c(-c4cccc(Cl)c4)c3c2c1
InChIInChI=1S/C24H16ClNO3/c25-17-8-4-7-16(11-17)22-21(28-14-15-5-2-1-3-6-15)13-26-24-23(22)19-12-18(27)9-10-20(19)29-24/h1-13,27H,14H2
InChIKeyFDZGNOBUUDIZIX-UHFFFAOYSA-N
XLogP6.59
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The IUPAC name of 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (CID 46702727) is 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.
What is the SMILES notation for 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The canonical SMILES for 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4cccc(Cl)c4)c3c2c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The InChIKey is FDZGNOBUUDIZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO3/c25-17-8-4-7-16(11-17)22-21(28-14-15-5-2-1-3-6-15)13-26-24-23(22)19-12-18(27)9-10-20(19)29-24/h1-13,27H,14H2.
What are the key properties of 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol has a molecular weight of 401.85 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is sourced from PubChem (CID 46702727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).