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

C20H19NO3 — CID 705277

IUPAC1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCOc1ccccc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C20H19NO3/c1-23-18-9-5-3-7-15(18)21-12-14-16(22)10-11-19-20(14)13-6-2-4-8-17(13)24-19/h3,5,7,9-12,22H,2,4,6,8H2,1H3/b21-12+
InChIKeyAKPLOXQBOMCQMI-CIAFOILYSA-N
MW321.38 g/mol
LogP4.78
Rot. Bonds3

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

1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 705277) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID705277
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCOc1ccccc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C20H19NO3/c1-23-18-9-5-3-7-15(18)21-12-14-16(22)10-11-19-20(14)13-6-2-4-8-17(13)24-19/h3,5,7,9-12,22H,2,4,6,8H2,1H3/b21-12+
InChIKeyAKPLOXQBOMCQMI-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-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 705277) is 1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is COc1ccccc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3.
What is the InChIKey of 1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is AKPLOXQBOMCQMI-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-23-18-9-5-3-7-15(18)21-12-14-16(22)10-11-19-20(14)13-6-2-4-8-17(13)24-19/h3,5,7,9-12,22H,2,4,6,8H2,1H3/b21-12+.
What are the key properties of 1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-[(2-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-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 705277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).