4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol

C17H17NO2 — CID 90924622

IUPAC4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol
SMILESC=CC(C=Cc1ccc(ON)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17NO2/c1-2-14(15-7-9-16(19)10-8-15)6-3-13-4-11-17(20-18)12-5-13/h2-12,14,19H,1,18H2
InChIKeyPVXUZJDXBSZOLX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.63
Rot. Bonds5

About 4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol

4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol (PubChem CID 90924622) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol
PubChem CID90924622
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol
SMILESC=CC(C=Cc1ccc(ON)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17NO2/c1-2-14(15-7-9-16(19)10-8-15)6-3-13-4-11-17(20-18)12-5-13/h2-12,14,19H,1,18H2
InChIKeyPVXUZJDXBSZOLX-UHFFFAOYSA-N
XLogP3.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol?
The IUPAC name of 4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol (CID 90924622) is 4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol.
What is the SMILES notation for 4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol?
The canonical SMILES for 4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol is C=CC(C=Cc1ccc(ON)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol?
The InChIKey is PVXUZJDXBSZOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-14(15-7-9-16(19)10-8-15)6-3-13-4-11-17(20-18)12-5-13/h2-12,14,19H,1,18H2.
What are the key properties of 4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol?
4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol has a molecular weight of 267.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol is sourced from PubChem (CID 90924622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).