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

C19H17NO3 — CID 872224

IUPAC1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccccc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C19H17NO3/c21-15-9-10-18-19(12-5-1-4-8-17(12)23-18)13(15)11-20-14-6-2-3-7-16(14)22/h2-3,6-7,9-11,21-22H,1,4-5,8H2/b20-11+
InChIKeyCHDRKZJGMVGURL-RGVLZGJSSA-N
MW307.35 g/mol
LogP4.47
Rot. Bonds2

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

1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 872224) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID872224
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccccc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C19H17NO3/c21-15-9-10-18-19(12-5-1-4-8-17(12)23-18)13(15)11-20-14-6-2-3-7-16(14)22/h2-3,6-7,9-11,21-22H,1,4-5,8H2/b20-11+
InChIKeyCHDRKZJGMVGURL-RGVLZGJSSA-N
XLogP4.47
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 872224) is 1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is Oc1ccccc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3.
What is the InChIKey of 1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is CHDRKZJGMVGURL-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17NO3/c21-15-9-10-18-19(12-5-1-4-8-17(12)23-18)13(15)11-20-14-6-2-3-7-16(14)22/h2-3,6-7,9-11,21-22H,1,4-5,8H2/b20-11+.
What are the key properties of 1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 307.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 872224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).