(4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone

C29H23NO5 — CID 24747827

IUPAC(4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(OC)cc3)oc3ccc(-c4ccc(OC)nc4)cc23)cc1
InChIInChI=1S/C29H23NO5/c1-32-22-10-4-18(5-11-22)28(31)27-24-16-20(21-9-15-26(34-3)30-17-21)8-14-25(24)35-29(27)19-6-12-23(33-2)13-7-19/h4-17H,1-3H3
InChIKeyXYOJMDBOQQCROF-UHFFFAOYSA-N
MW465.51 g/mol
LogP6.42
Rot. Bonds7

About (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone

(4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone (PubChem CID 24747827) has the molecular formula C29H23NO5 and a molecular weight of 465.51 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone
PubChem CID24747827
Molecular FormulaC29H23NO5
Molecular Weight465.51 g/mol
Exact Mass465.16
IUPAC Name(4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(OC)cc3)oc3ccc(-c4ccc(OC)nc4)cc23)cc1
InChIInChI=1S/C29H23NO5/c1-32-22-10-4-18(5-11-22)28(31)27-24-16-20(21-9-15-26(34-3)30-17-21)8-14-25(24)35-29(27)19-6-12-23(33-2)13-7-19/h4-17H,1-3H3
InChIKeyXYOJMDBOQQCROF-UHFFFAOYSA-N
XLogP6.42
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone (CID 24747827) is (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone is COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)oc3ccc(-c4ccc(OC)nc4)cc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone?
The InChIKey is XYOJMDBOQQCROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO5/c1-32-22-10-4-18(5-11-22)28(31)27-24-16-20(21-9-15-26(34-3)30-17-21)8-14-25(24)35-29(27)19-6-12-23(33-2)13-7-19/h4-17H,1-3H3.
What are the key properties of (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone?
(4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone has a molecular weight of 465.51 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone is sourced from PubChem (CID 24747827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).