4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol

C17H19NO3 — CID 137175229

IUPAC4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol
SMILESCCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO3/c1-2-3-12-21-18-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,19-20H,2-3,12H2,1H3
InChIKeyBYCOGUMRBXZRJW-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.67
Rot. Bonds6

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

4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol (PubChem CID 137175229) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol
PubChem CID137175229
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol
SMILESCCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO3/c1-2-3-12-21-18-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,19-20H,2-3,12H2,1H3
InChIKeyBYCOGUMRBXZRJW-UHFFFAOYSA-N
XLogP3.67
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.67
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-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The IUPAC name of 4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol (CID 137175229) is 4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The canonical SMILES for 4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol is CCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The InChIKey is BYCOGUMRBXZRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-3-12-21-18-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,19-20H,2-3,12H2,1H3.
What are the key properties of 4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol has a molecular weight of 285.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol is sourced from PubChem (CID 137175229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).