4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol

C18H21NO3 — CID 137175231

IUPAC4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol
SMILESCC(C)CCON=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-13(2)11-12-22-19-18(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,13,20-21H,11-12H2,1-2H3
InChIKeyRXYDHMNSOMERHU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.91
Rot. Bonds6

About 4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol

4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol (PubChem CID 137175231) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol
PubChem CID137175231
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol
SMILESCC(C)CCON=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-13(2)11-12-22-19-18(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,13,20-21H,11-12H2,1-2H3
InChIKeyRXYDHMNSOMERHU-UHFFFAOYSA-N
XLogP3.91
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.91
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': '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-(3-methylbutoxy)carbonimidoyl]phenol?
The IUPAC name of 4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol (CID 137175231) is 4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol?
The canonical SMILES for 4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol is CC(C)CCON=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol?
The InChIKey is RXYDHMNSOMERHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(2)11-12-22-19-18(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,13,20-21H,11-12H2,1-2H3.
What are the key properties of 4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol?
4-[C-(4-hydroxyphenyl)-N-(3-methylbutoxy)carbonimidoyl]phenol has a molecular weight of 299.37 g/mol, XLogP of 3.91, 6 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-(3-methylbutoxy)carbonimidoyl]phenol is sourced from PubChem (CID 137175231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).