1-ethoxy-1-phenylpentan-3-one

C13H18O2 — CID 3736570

IUPAC1-ethoxy-1-phenylpentan-3-one
SMILESCCOC(CC(=O)CC)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-12(14)10-13(15-4-2)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
InChIKeyOJQGBOSEDAXZOV-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.13
Rot. Bonds6

About 1-ethoxy-1-phenylpentan-3-one

1-ethoxy-1-phenylpentan-3-one (PubChem CID 3736570) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-ethoxy-1-phenylpentan-3-one.

Molecular Properties

Compound Name1-ethoxy-1-phenylpentan-3-one
PubChem CID3736570
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-ethoxy-1-phenylpentan-3-one
SMILESCCOC(CC(=O)CC)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-12(14)10-13(15-4-2)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
InChIKeyOJQGBOSEDAXZOV-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butyl 3-ethoxy-3-phenylpropanoate
CID 174751774
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
4-oxo-2-phenylhexanoic acid
CID 13284198
2-ethoxy-2-phenylethanethiol
CID 151400804
1,3,3-triethoxypropylbenzene
CID 3754405
3-(2-methylpropoxy)-3-phenylpropanoic acid
CID 114988873
1-ethoxydecylbenzene
CID 71423896
[(1R,3R)-1-bromo-3-ethoxy-3-phenylpropyl]benzene
CID 23248017
1-(2-methylphenyl)-1-phenylpentan-3-one
CID 102348296
3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid
CID 122012065
3-methoxy-3-phenylpropanoic acid
CID 13379217
dibenzyl 2-[(1R)-3-oxo-1-phenylpentyl]propanedioate
CID 101238187

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-phenylpentan-3-one?
The IUPAC name of 1-ethoxy-1-phenylpentan-3-one (CID 3736570) is 1-ethoxy-1-phenylpentan-3-one.
What is the SMILES notation for 1-ethoxy-1-phenylpentan-3-one?
The canonical SMILES for 1-ethoxy-1-phenylpentan-3-one is CCOC(CC(=O)CC)c1ccccc1.
What is the InChIKey of 1-ethoxy-1-phenylpentan-3-one?
The InChIKey is OJQGBOSEDAXZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-12(14)10-13(15-4-2)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3.
What are the key properties of 1-ethoxy-1-phenylpentan-3-one?
1-ethoxy-1-phenylpentan-3-one has a molecular weight of 206.28 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-phenylpentan-3-one is sourced from PubChem (CID 3736570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).