2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one

C15H15NO3 — CID 23464572

IUPAC2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
SMILESNC(Cc1ccc(O)cc1)C(=O)c1ccccc1O
InChIInChI=1S/C15H15NO3/c16-13(9-10-5-7-11(17)8-6-10)15(19)12-3-1-2-4-14(12)18/h1-8,13,17-18H,9,16H2
InChIKeyHFMLYZJRQGKHRL-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one

2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 23464572) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
PubChem CID23464572
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
SMILESNC(Cc1ccc(O)cc1)C(=O)c1ccccc1O
InChIInChI=1S/C15H15NO3/c16-13(9-10-5-7-11(17)8-6-10)15(19)12-3-1-2-4-14(12)18/h1-8,13,17-18H,9,16H2
InChIKeyHFMLYZJRQGKHRL-UHFFFAOYSA-N
XLogP1.85
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanamide
CID 67854900
2-aminoacetic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 66894742

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one (CID 23464572) is 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one is NC(Cc1ccc(O)cc1)C(=O)c1ccccc1O.
What is the InChIKey of 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is HFMLYZJRQGKHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c16-13(9-10-5-7-11(17)8-6-10)15(19)12-3-1-2-4-14(12)18/h1-8,13,17-18H,9,16H2.
What are the key properties of 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one?
2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 257.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 23464572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).