(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one

C11H14O3 — CID 68510519

IUPAC(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
SMILESCCO[C@@H](O)CC(=O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,11,13H,2,8H2,1H3/t11-/m1/s1
InChIKeyRYNJYDIULIMSJT-LLVKDONJSA-N
MW194.23 g/mol
LogP1.61
Rot. Bonds5

About (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one

(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one (PubChem CID 68510519) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
PubChem CID68510519
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
SMILESCCO[C@@H](O)CC(=O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,11,13H,2,8H2,1H3/t11-/m1/s1
InChIKeyRYNJYDIULIMSJT-LLVKDONJSA-N
XLogP1.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione
CID 11036153
2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium
CID 157458679
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
3-iodo-1-phenylpentan-1-one
CID 22934254
methyl (3S)-3-hydroxy-5-oxo-5-phenylpentanoate
CID 45113502
6,6-diethoxy-1-phenylhexan-1-one
CID 141451964
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
1-phenyl(111C)propan-1-one
CID 11159350
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one?
The IUPAC name of (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one (CID 68510519) is (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one?
The canonical SMILES for (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one is CCO[C@@H](O)CC(=O)c1ccccc1.
What is the InChIKey of (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one?
The InChIKey is RYNJYDIULIMSJT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,11,13H,2,8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one?
(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one is sourced from PubChem (CID 68510519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).