1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol

C20H19NO3 — CID 705272

IUPAC1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCOc1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1
InChIInChI=1S/C20H19NO3/c1-23-14-8-6-13(7-9-14)21-12-16-17(22)10-11-19-20(16)15-4-2-3-5-18(15)24-19/h6-12,22H,2-5H2,1H3/b21-12+
InChIKeyUYOZJBQBUZIITG-CIAFOILYSA-N
MW321.38 g/mol
LogP4.78
Rot. Bonds3

About 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol

1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 705272) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID705272
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCOc1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1
InChIInChI=1S/C20H19NO3/c1-23-14-8-6-13(7-9-14)21-12-16-17(22)10-11-19-20(16)15-4-2-3-5-18(15)24-19/h6-12,22H,2-5H2,1H3/b21-12+
InChIKeyUYOZJBQBUZIITG-CIAFOILYSA-N
XLogP4.78
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 705272) is 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is COc1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is UYOZJBQBUZIITG-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-23-14-8-6-13(7-9-14)21-12-16-17(22)10-11-19-20(16)15-4-2-3-5-18(15)24-19/h6-12,22H,2-5H2,1H3/b21-12+.
What are the key properties of 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 321.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 705272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).