1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

C22H19NO2 — CID 53405756

IUPAC1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESNc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16,23H2
InChIKeyGEAMLFKRRVLFPK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.74
Rot. Bonds6

About 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 53405756) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID53405756
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESNc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16,23H2
InChIKeyGEAMLFKRRVLFPK-UHFFFAOYSA-N
XLogP4.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate
CID 7946008
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
CID 71348543
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
(E)-1-[2,6-bis(phenylmethoxy)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 10578039
(E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
CID 18795152
(E)-1-(4-hydroxyphenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-en-1-one
CID 46486412
4-phenylmethoxyaniline
CID 159966727
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173
(E)-1-(1-methylpyrazol-4-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19543215
N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide
CID 166451315

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one (CID 53405756) is 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is Nc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is GEAMLFKRRVLFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16,23H2.
What are the key properties of 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 329.40 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 53405756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).