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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Related Compounds

1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
CID 162984597
4-[(3R)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]-2-methoxyphenol
CID 162899883
5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol
CID 163109086
1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene
CID 147064601
4-aminooxyphenol
CID 67279043
(4R)-4-hydroxy-2-[(S)-hydroxy(hydroxysulfanyl)methoxy]-3-[4-[(1Z)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenoxy]-2-methylpentanoic acid
CID 143987027
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
4-(3-methylbut-1-enyl)phenol
CID 57250794
tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate
CID 67610410
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-[(4-aminooxyphenyl)methyl]phenol
CID 122683282

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).