4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde

C25H20O5 — CID 163896304

IUPAC4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde
SMILESCCOc1ccc(C(=O)c2c(-c3ccc(C=O)cc3)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C25H20O5/c1-3-29-19-10-8-17(9-11-19)24(27)23-21-13-12-20(28-2)14-22(21)30-25(23)18-6-4-16(15-26)5-7-18/h4-15H,3H2,1-2H3
InChIKeyQFXPJYAAXDILIU-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.55
Rot. Bonds7

About 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde

4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde (PubChem CID 163896304) has the molecular formula C25H20O5 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde
PubChem CID163896304
Molecular FormulaC25H20O5
Molecular Weight400.43 g/mol
Exact Mass400.13
IUPAC Name4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde
SMILESCCOc1ccc(C(=O)c2c(-c3ccc(C=O)cc3)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C25H20O5/c1-3-29-19-10-8-17(9-11-19)24(27)23-21-13-12-20(28-2)14-22(21)30-25(23)18-6-4-16(15-26)5-7-18/h4-15H,3H2,1-2H3
InChIKeyQFXPJYAAXDILIU-UHFFFAOYSA-N
XLogP5.55
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
(4-hydroxyphenyl)-[6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 67680881
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
[4-[3-(diethylamino)propoxy]phenyl]-[2-(4-propoxyphenyl)-1-benzofuran-3-yl]methanone
CID 21435375
ethyl (E)-3-[7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl]prop-2-enoate
CID 102440774
(4-chlorophenyl)-[2-[4-[3-(diethylamino)propoxy]phenyl]-1-benzofuran-3-yl]methanone
CID 21487900
[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 155547193
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde?
The IUPAC name of 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde (CID 163896304) is 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde.
What is the SMILES notation for 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde?
The canonical SMILES for 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde is CCOc1ccc(C(=O)c2c(-c3ccc(C=O)cc3)oc3cc(OC)ccc23)cc1.
What is the InChIKey of 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde?
The InChIKey is QFXPJYAAXDILIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O5/c1-3-29-19-10-8-17(9-11-19)24(27)23-21-13-12-20(28-2)14-22(21)30-25(23)18-6-4-16(15-26)5-7-18/h4-15H,3H2,1-2H3.
What are the key properties of 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde?
4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde has a molecular weight of 400.43 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethoxybenzoyl)-6-methoxy-1-benzofuran-2-yl]benzaldehyde is sourced from PubChem (CID 163896304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).