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

C23H25NO3 — CID 1368459

IUPAC3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccccc2O)c1O)CCCC3
InChIInChI=1S/C23H25NO3/c1-23(2,3)16-12-20-21(14-8-4-7-11-19(14)27-20)15(22(16)26)13-24-17-9-5-6-10-18(17)25/h5-6,9-10,12-13,25-26H,4,7-8,11H2,1-3H3/b24-13+
InChIKeyBCJKKCBTELNAQW-ZMOGYAJESA-N
MW363.46 g/mol
LogP5.77
Rot. Bonds2

About 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol

3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 1368459) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID1368459
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccccc2O)c1O)CCCC3
InChIInChI=1S/C23H25NO3/c1-23(2,3)16-12-20-21(14-8-4-7-11-19(14)27-20)15(22(16)26)13-24-17-9-5-6-10-18(17)25/h5-6,9-10,12-13,25-26H,4,7-8,11H2,1-3H3/b24-13+
InChIKeyBCJKKCBTELNAQW-ZMOGYAJESA-N
XLogP5.77
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.77
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 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 1368459) is 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is CC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccccc2O)c1O)CCCC3.
What is the InChIKey of 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is BCJKKCBTELNAQW-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H25NO3/c1-23(2,3)16-12-20-21(14-8-4-7-11-19(14)27-20)15(22(16)26)13-24-17-9-5-6-10-18(17)25/h5-6,9-10,12-13,25-26H,4,7-8,11H2,1-3H3/b24-13+.
What are the key properties of 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 363.46 g/mol, XLogP of 5.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 1368459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).