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

C31H27NO7 — CID 24818786

IUPAC[2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2C(=O)c2ccc(OC)nc2)cc1
InChIInChI=1S/C31H27NO7/c1-34-22-10-6-18(7-11-22)30-28(29(33)20-9-13-27(37-4)32-17-20)23-14-19(8-12-24(23)39-30)21-15-25(35-2)31(38-5)26(16-21)36-3/h6-17H,1-5H3
InChIKeyLBCDRZQEXJWFTA-UHFFFAOYSA-N
MW525.56 g/mol
LogP6.44
Rot. Bonds9

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

[2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 24818786) has the molecular formula C31H27NO7 and a molecular weight of 525.56 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID24818786
Molecular FormulaC31H27NO7
Molecular Weight525.56 g/mol
Exact Mass525.18
IUPAC Name[2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2C(=O)c2ccc(OC)nc2)cc1
InChIInChI=1S/C31H27NO7/c1-34-22-10-6-18(7-11-22)30-28(29(33)20-9-13-27(37-4)32-17-20)23-14-19(8-12-24(23)39-30)21-15-25(35-2)31(38-5)26(16-21)36-3/h6-17H,1-5H3
InChIKeyLBCDRZQEXJWFTA-UHFFFAOYSA-N
XLogP6.44
TPSA89.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.56
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone (CID 24818786) is [2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2C(=O)c2ccc(OC)nc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is LBCDRZQEXJWFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO7/c1-34-22-10-6-18(7-11-22)30-28(29(33)20-9-13-27(37-4)32-17-20)23-14-19(8-12-24(23)39-30)21-15-25(35-2)31(38-5)26(16-21)36-3/h6-17H,1-5H3.
What are the key properties of [2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone?
[2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 525.56 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran-3-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 24818786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).