7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde

C23H18O4 — CID 86028919

IUPAC7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde
SMILESCOc1ccc(C=O)c2cc(-c3ccc(OCc4ccccc4)cc3)oc12
InChIInChI=1S/C23H18O4/c1-25-21-12-9-18(14-24)20-13-22(27-23(20)21)17-7-10-19(11-8-17)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyPAIAPLXLPSXHPW-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.50
Rot. Bonds6

About 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde

7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde (PubChem CID 86028919) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde
PubChem CID86028919
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde
SMILESCOc1ccc(C=O)c2cc(-c3ccc(OCc4ccccc4)cc3)oc12
InChIInChI=1S/C23H18O4/c1-25-21-12-9-18(14-24)20-13-22(27-23(20)21)17-7-10-19(11-8-17)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyPAIAPLXLPSXHPW-UHFFFAOYSA-N
XLogP5.50
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one
CID 175483598
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22733941
2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
3-(2-methoxy-5-phenylmethoxyphenyl)propanal
CID 71659859
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde?
The IUPAC name of 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde (CID 86028919) is 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde.
What is the SMILES notation for 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde?
The canonical SMILES for 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde is COc1ccc(C=O)c2cc(-c3ccc(OCc4ccccc4)cc3)oc12.
What is the InChIKey of 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde?
The InChIKey is PAIAPLXLPSXHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4/c1-25-21-12-9-18(14-24)20-13-22(27-23(20)21)17-7-10-19(11-8-17)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3.
What are the key properties of 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde?
7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde has a molecular weight of 358.39 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde is sourced from PubChem (CID 86028919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).