1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

C19H21NO2 — CID 86039133

IUPAC1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESCCN(CC)c1ccc(C(=O)C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-3-20(4-2)17-10-8-16(9-11-17)19(22)14-7-15-5-12-18(21)13-6-15/h5-14,21H,3-4H2,1-2H3
InChIKeyKMAUIYCPJGEGIS-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.13
Rot. Bonds6

About 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 86039133) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID86039133
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESCCN(CC)c1ccc(C(=O)C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-3-20(4-2)17-10-8-16(9-11-17)19(22)14-7-15-5-12-18(21)13-6-15/h5-14,21H,3-4H2,1-2H3
InChIKeyKMAUIYCPJGEGIS-UHFFFAOYSA-N
XLogP4.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 122707390
(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11574132
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 21324463
(Z)-3-[4-(diethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54604270
2-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]acetate
CID 8727219
2-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8684788
1-[4-(diethylamino)phenyl]but-2-en-1-one
CID 162367045
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
(E)-1-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 89136954
(E)-3-[4-(diethylamino)phenyl]-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one
CID 6219122
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
(E)-3-[4-(diethylamino)phenyl]-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 19555091

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one (CID 86039133) is 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one is CCN(CC)c1ccc(C(=O)C=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is KMAUIYCPJGEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-20(4-2)17-10-8-16(9-11-17)19(22)14-7-15-5-12-18(21)13-6-15/h5-14,21H,3-4H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one?
1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 295.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 86039133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).