[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone

C27H20O4 — CID 71769493

IUPAC[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc(-c2oc3cccc(OC)c3c2C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H20O4/c1-29-19-15-13-18(14-16-19)27-25(24-22(30-2)11-6-12-23(24)31-27)26(28)21-10-5-8-17-7-3-4-9-20(17)21/h3-16H,1-2H3
InChIKeyAMHWKKLGGZHOEN-UHFFFAOYSA-N
MW408.45 g/mol
LogP6.50
Rot. Bonds5

About [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone

[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone (PubChem CID 71769493) has the molecular formula C27H20O4 and a molecular weight of 408.45 g/mol. Its IUPAC name is [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone
PubChem CID71769493
Molecular FormulaC27H20O4
Molecular Weight408.45 g/mol
Exact Mass408.14
IUPAC Name[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc(-c2oc3cccc(OC)c3c2C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H20O4/c1-29-19-15-13-18(14-16-19)27-25(24-22(30-2)11-6-12-23(24)31-27)26(28)21-10-5-8-17-7-3-4-9-20(17)21/h3-16H,1-2H3
InChIKeyAMHWKKLGGZHOEN-UHFFFAOYSA-N
XLogP6.50
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
CID 139085652
[2-(4-methoxyphenyl)-1-benzofuran-4-yl] naphthalene-1-carboxylate
CID 71769634
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 155547193
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
CID 14018362
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one
CID 101462392
2-(4-methoxyphenyl)-1-benzofuran-3-amine
CID 102535586

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone (CID 71769493) is [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone is COc1ccc(-c2oc3cccc(OC)c3c2C(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is AMHWKKLGGZHOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O4/c1-29-19-15-13-18(14-16-19)27-25(24-22(30-2)11-6-12-23(24)31-27)26(28)21-10-5-8-17-7-3-4-9-20(17)21/h3-16H,1-2H3.
What are the key properties of [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone?
[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 408.45 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 71769493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).