4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol

C18H19NO3 — CID 137175230

IUPAC4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol
SMILESC=CCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H19NO3/c1-2-3-4-13-22-19-18(14-5-9-16(20)10-6-14)15-7-11-17(21)12-8-15/h2,5-12,20-21H,1,3-4,13H2
InChIKeyHGUJRUNBIMFEND-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.83
Rot. Bonds7

About 4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol

4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol (PubChem CID 137175230) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol
PubChem CID137175230
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol
SMILESC=CCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H19NO3/c1-2-3-4-13-22-19-18(14-5-9-16(20)10-6-14)15-7-11-17(21)12-8-15/h2,5-12,20-21H,1,3-4,13H2
InChIKeyHGUJRUNBIMFEND-UHFFFAOYSA-N
XLogP3.83
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol?
The IUPAC name of 4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol (CID 137175230) is 4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol.
What is the SMILES notation for 4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol?
The canonical SMILES for 4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol is C=CCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol?
The InChIKey is HGUJRUNBIMFEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-3-4-13-22-19-18(14-5-9-16(20)10-6-14)15-7-11-17(21)12-8-15/h2,5-12,20-21H,1,3-4,13H2.
What are the key properties of 4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol?
4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol has a molecular weight of 297.35 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol is sourced from PubChem (CID 137175230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).