1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one

C18H19NO2 — CID 4654270

IUPAC1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one
SMILESCCc1ccc(C(=O)C=CNc2ccc(O)cc2C)cc1
InChIInChI=1S/C18H19NO2/c1-3-14-4-6-15(7-5-14)18(21)10-11-19-17-9-8-16(20)12-13(17)2/h4-12,19-20H,3H2,1-2H3
InChIKeyKIKWSZWUALODSO-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.07
Rot. Bonds5

About 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one

1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one (PubChem CID 4654270) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one
PubChem CID4654270
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one
SMILESCCc1ccc(C(=O)C=CNc2ccc(O)cc2C)cc1
InChIInChI=1S/C18H19NO2/c1-3-14-4-6-15(7-5-14)18(21)10-11-19-17-9-8-16(20)12-13(17)2/h4-12,19-20H,3H2,1-2H3
InChIKeyKIKWSZWUALODSO-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one
CID 18528061
1-(4-ethylphenyl)-3-(4-fluoro-3-methylanilino)prop-2-en-1-one
CID 3564341
4-[[3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzoic acid
CID 890469
(E)-1-(2,4-dichlorophenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one
CID 126106903
methyl 4-[[(Z)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 98670386
(E)-3-(4-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6188155
1-(4-bromophenyl)-3-(2-methyl-4-nitroanilino)prop-2-en-1-one
CID 2849249
1-(4-bromophenyl)-3-(2-ethyl-5-methylanilino)prop-2-en-1-one
CID 171157213
1-(4-ethylphenyl)-3-(4-morpholin-4-ylanilino)prop-2-en-1-one
CID 4006054
1-(4-bromophenyl)-3-(2-methylanilino)prop-2-en-1-one
CID 799106
1-(4-ethylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 630587
1-(4-methoxyphenyl)-3-(2-methyl-4-nitroanilino)prop-2-en-1-one
CID 2851012

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one (CID 4654270) is 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one is CCc1ccc(C(=O)C=CNc2ccc(O)cc2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one?
The InChIKey is KIKWSZWUALODSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-14-4-6-15(7-5-14)18(21)10-11-19-17-9-8-16(20)12-13(17)2/h4-12,19-20H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one?
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one has a molecular weight of 281.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one is sourced from PubChem (CID 4654270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).