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

C21H21NO3 — CID 705291

IUPAC1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCCOc1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1
InChIInChI=1S/C21H21NO3/c1-2-24-15-9-7-14(8-10-15)22-13-17-18(23)11-12-20-21(17)16-5-3-4-6-19(16)25-20/h7-13,23H,2-6H2,1H3/b22-13+
InChIKeyQQZXIRINGJAGQK-LPYMAVHISA-N
MW335.40 g/mol
LogP5.17
Rot. Bonds4

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

1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 705291) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID705291
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCCOc1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1
InChIInChI=1S/C21H21NO3/c1-2-24-15-9-7-14(8-10-15)22-13-17-18(23)11-12-20-21(17)16-5-3-4-6-19(16)25-20/h7-13,23H,2-6H2,1H3/b22-13+
InChIKeyQQZXIRINGJAGQK-LPYMAVHISA-N
XLogP5.17
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(Z)-(2-oxo-6,7,8,9-tetrahydrodibenzofuran-1-ylidene)methyl]amino]benzoic acid
CID 742149
(1Z)-1-[(2-hydroxyanilino)methylidene]-6,7,8,9-tetrahydrodibenzofuran-2-one
CID 872224
(1Z)-1-[(tert-butylamino)methylidene]-6,7,8,9-tetrahydrodibenzofuran-2-one
CID 915841
(Z)-3-((4-Phenoxyphenylamino)methylene)isobenzofuran-1(3H)-one
CID 3398697
[2-Butyl-5-[(4-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 145965750
[2-Butyl-5-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 145966190
4-[(2-Hydroxy-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-yl)methylideneamino]benzoic acid
CID 171355479
(e)-3-(((4-Fluorophenyl)imino)methyl)-2-phenylbenzofuran-6-ol
CID 129883392
1-{[(4-Methoxyphenyl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[B,D]furan-2-OL
CID 705272
1-{[(2-Methoxyphenyl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[B,D]furan-2-OL
CID 705277
2-Dibenzofuranol, 6,7,8,9-tetrahydro-1-[(phenylimino)methyl]-
CID 919763
(Z)-ethyl 4-(((4-ethoxyphenyl)amino)methylene)-2-methyl-5-oxo-4,5-dihydronaphtho[1,2-b]furan-3-carboxylate
CID 4299423

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 705291) is 1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is CCOc1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is QQZXIRINGJAGQK-LPYMAVHISA-N. The full InChI is InChI=1S/C21H21NO3/c1-2-24-15-9-7-14(8-10-15)22-13-17-18(23)11-12-20-21(17)16-5-3-4-6-19(16)25-20/h7-13,23H,2-6H2,1H3/b22-13+.
What are the key properties of 1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 335.40 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 705291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).