amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate

C16H15NO4 — CID 175240791

IUPACamino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate
SMILESCC(C(=O)ON)(C(=O)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H15NO4/c1-16(15(20)21-17,12-7-9-13(18)10-8-12)14(19)11-5-3-2-4-6-11/h2-10,18H,17H2,1H3
InChIKeyDJXLQRDVBAYZNM-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.95
Rot. Bonds4

About amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate

amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate (PubChem CID 175240791) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Nameamino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate
PubChem CID175240791
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Nameamino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate
SMILESCC(C(=O)ON)(C(=O)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H15NO4/c1-16(15(20)21-17,12-7-9-13(18)10-8-12)14(19)11-5-3-2-4-6-11/h2-10,18H,17H2,1H3
InChIKeyDJXLQRDVBAYZNM-UHFFFAOYSA-N
XLogP1.95
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzene-1,4-diol;benzoic acid
CID 67019242
methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate
CID 174505893
methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
CID 70380510
2-bromo-1-phenyl-2-sulfanylpropan-1-one
CID 23463078
(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
CID 86338935
benzene-1,3-dicarbonyl chloride;benzene-1,4-dicarbonyl chloride;carbonyl dichloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol
CID 170852102
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
methyl 2-anilino-2-(4-hydroxyphenyl)propanoate
CID 60991506
ethyl (2S)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoate
CID 131869499
ethyl (2S)-2-bromo-2-methyl-3-oxo-3-phenylpropanoate
CID 101364316
4-tert-butylphenol;nickel
CID 162056786
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790

Frequently Asked Questions

What is the IUPAC name of amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate?
The IUPAC name of amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate (CID 175240791) is amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate.
What is the SMILES notation for amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate?
The canonical SMILES for amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate is CC(C(=O)ON)(C(=O)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate?
The InChIKey is DJXLQRDVBAYZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-16(15(20)21-17,12-7-9-13(18)10-8-12)14(19)11-5-3-2-4-6-11/h2-10,18H,17H2,1H3.
What are the key properties of amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate?
amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate has a molecular weight of 285.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate is sourced from PubChem (CID 175240791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).