4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol

C18H20N2O2 — CID 135458693

IUPAC4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol
SMILESCC/C(=N/N=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20N2O2/c1-3-17(13-5-9-15(21)10-6-13)19-20-18(4-2)14-7-11-16(22)12-8-14/h5-12,21-22H,3-4H2,1-2H3/b19-17-,20-18-
InChIKeyLKXNALRUDYMXNR-CLFAGFIQSA-N
MW296.37 g/mol
LogP4.11
Rot. Bonds5

About 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol

4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol (PubChem CID 135458693) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol
PubChem CID135458693
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol
SMILESCC/C(=N/N=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20N2O2/c1-3-17(13-5-9-15(21)10-6-13)19-20-18(4-2)14-7-11-16(22)12-8-14/h5-12,21-22H,3-4H2,1-2H3/b19-17-,20-18-
InChIKeyLKXNALRUDYMXNR-CLFAGFIQSA-N
XLogP4.11
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol?
The IUPAC name of 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol (CID 135458693) is 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol.
What is the SMILES notation for 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol?
The canonical SMILES for 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol is CC/C(=N/N=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol?
The InChIKey is LKXNALRUDYMXNR-CLFAGFIQSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-17(13-5-9-15(21)10-6-13)19-20-18(4-2)14-7-11-16(22)12-8-14/h5-12,21-22H,3-4H2,1-2H3/b19-17-,20-18-.
What are the key properties of 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol?
4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol has a molecular weight of 296.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-C-ethyl-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol is sourced from PubChem (CID 135458693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).