4-[4-(4-aminophenoxy)phenyl]but-3-enal

C16H15NO2 — CID 170482834

IUPAC4-[4-(4-aminophenoxy)phenyl]but-3-enal
SMILESNc1ccc(Oc2ccc(C=CCC=O)cc2)cc1
InChIInChI=1S/C16H15NO2/c17-14-6-10-16(11-7-14)19-15-8-4-13(5-9-15)3-1-2-12-18/h1,3-12H,2,17H2
InChIKeyKNWUYEBTASDSSQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.66
Rot. Bonds5

About 4-[4-(4-aminophenoxy)phenyl]but-3-enal

4-[4-(4-aminophenoxy)phenyl]but-3-enal (PubChem CID 170482834) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[4-(4-aminophenoxy)phenyl]but-3-enal.

Molecular Properties

Compound Name4-[4-(4-aminophenoxy)phenyl]but-3-enal
PubChem CID170482834
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-[4-(4-aminophenoxy)phenyl]but-3-enal
SMILESNc1ccc(Oc2ccc(C=CCC=O)cc2)cc1
InChIInChI=1S/C16H15NO2/c17-14-6-10-16(11-7-14)19-15-8-4-13(5-9-15)3-1-2-12-18/h1,3-12H,2,17H2
InChIKeyKNWUYEBTASDSSQ-UHFFFAOYSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3-bromoprop-1-enyl)phenoxy]aniline
CID 169476413
4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
CID 169462676
4-(4-oxobut-1-enyl)benzaldehyde
CID 170481464
(E)-4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 87333465
4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 90952053
4-(4-aminophenoxy)aniline
CID 161415647
4-penta-1,4-dienylaniline
CID 67805636
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine
CID 56978617
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-(4-amino-2-chlorophenyl)but-3-enal
CID 170481538
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenoxy)phenyl]but-3-enal?
The IUPAC name of 4-[4-(4-aminophenoxy)phenyl]but-3-enal (CID 170482834) is 4-[4-(4-aminophenoxy)phenyl]but-3-enal.
What is the SMILES notation for 4-[4-(4-aminophenoxy)phenyl]but-3-enal?
The canonical SMILES for 4-[4-(4-aminophenoxy)phenyl]but-3-enal is Nc1ccc(Oc2ccc(C=CCC=O)cc2)cc1.
What is the InChIKey of 4-[4-(4-aminophenoxy)phenyl]but-3-enal?
The InChIKey is KNWUYEBTASDSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c17-14-6-10-16(11-7-14)19-15-8-4-13(5-9-15)3-1-2-12-18/h1,3-12H,2,17H2.
What are the key properties of 4-[4-(4-aminophenoxy)phenyl]but-3-enal?
4-[4-(4-aminophenoxy)phenyl]but-3-enal has a molecular weight of 253.30 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenoxy)phenyl]but-3-enal is sourced from PubChem (CID 170482834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).