4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol

C18H20N2O4 — CID 139207565

IUPAC4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol
SMILESOc1ccc(/C=N/OCCCCO/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O4/c21-17-7-3-15(4-8-17)13-19-23-11-1-2-12-24-20-14-16-5-9-18(22)10-6-16/h3-10,13-14,21-22H,1-2,11-12H2/b19-13+,20-14+
InChIKeyVJWNICPZJNRGAK-IWGRKNQJSA-N
MW328.37 g/mol
LogP3.28
Rot. Bonds9

About 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol

4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol (PubChem CID 139207565) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol
PubChem CID139207565
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol
SMILESOc1ccc(/C=N/OCCCCO/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O4/c21-17-7-3-15(4-8-17)13-19-23-11-1-2-12-24-20-14-16-5-9-18(22)10-6-16/h3-10,13-14,21-22H,1-2,11-12H2/b19-13+,20-14+
InChIKeyVJWNICPZJNRGAK-IWGRKNQJSA-N
XLogP3.28
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-prop-2-ynoxyiminomethyl]phenol
CID 137274237
4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663915
4-[(Z)-6-[(Z)-2-oxopropylideneamino]oxyhexoxyiminomethyl]benzaldehyde
CID 91546064
(E)-N-heptoxy-1-phenylmethanimine
CID 11241455
(E)-N-octoxy-1-phenylmethanimine
CID 25012804
3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
CID 58685118
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355
(E)-1-(1-oxidopyridin-1-ium-4-yl)-N-[3-[(E)-(1-oxidopyridin-1-ium-4-yl)methylideneamino]oxypropoxy]methanimine
CID 12604360
N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide
CID 75000935
4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]butane-1-sulfinic acid
CID 135909367
4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol
CID 135462076
1-(4-chlorophenyl)-N-[4-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butoxy]methanimine
CID 54482117

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol?
The IUPAC name of 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol (CID 139207565) is 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol.
What is the SMILES notation for 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol?
The canonical SMILES for 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol is Oc1ccc(/C=N/OCCCCO/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol?
The InChIKey is VJWNICPZJNRGAK-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17-7-3-15(4-8-17)13-19-23-11-1-2-12-24-20-14-16-5-9-18(22)10-6-16/h3-10,13-14,21-22H,1-2,11-12H2/b19-13+,20-14+.
What are the key properties of 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol?
4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol has a molecular weight of 328.37 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol is sourced from PubChem (CID 139207565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).