1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone

C11H15NO3 — CID 23570467

IUPAC1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(O)C(N)CO)cc1
InChIInChI=1S/C11H15NO3/c1-7(14)8-2-4-9(5-3-8)11(15)10(12)6-13/h2-5,10-11,13,15H,6,12H2,1H3
InChIKeyJHNJQRIOIMFUBG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.24
Rot. Bonds4

About 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone

1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone (PubChem CID 23570467) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone
PubChem CID23570467
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(O)C(N)CO)cc1
InChIInChI=1S/C11H15NO3/c1-7(14)8-2-4-9(5-3-8)11(15)10(12)6-13/h2-5,10-11,13,15H,6,12H2,1H3
InChIKeyJHNJQRIOIMFUBG-UHFFFAOYSA-N
XLogP0.24
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 12936087
1-[4-(4-amino-1,2-dihydroxybutyl)phenyl]ethanone
CID 171881183
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
CID 170874851
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
CID 170874850
4-[(1R,2R)-2-amino-1,3-dihydroxypropyl]benzenesulfinate
CID 70916925
bis(2-amino-1-phenylpropane-1,3-diol);sulfuric acid
CID 138397343
2-amino-4-methylhex-4-enoic acid;(1S,2S)-2-amino-1-phenylpropane-1,3-diol
CID 70268415
1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol
CID 174948950
2-amino-1-(4-nitrophenyl)propane-1,3-diol;nitric acid
CID 165362766

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone (CID 23570467) is 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone is CC(=O)c1ccc(C(O)C(N)CO)cc1.
What is the InChIKey of 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone?
The InChIKey is JHNJQRIOIMFUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(14)8-2-4-9(5-3-8)11(15)10(12)6-13/h2-5,10-11,13,15H,6,12H2,1H3.
What are the key properties of 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone?
1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone has a molecular weight of 209.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone is sourced from PubChem (CID 23570467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).