1-phenyl-2-propoxypentan-3-one

C14H20O2 — CID 83226669

IUPAC1-phenyl-2-propoxypentan-3-one
SMILESCCCOC(Cc1ccccc1)C(=O)CC
InChIInChI=1S/C14H20O2/c1-3-10-16-14(13(15)4-2)11-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyXJBSLVOQNARMPD-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.00
Rot. Bonds7

About 1-phenyl-2-propoxypentan-3-one

1-phenyl-2-propoxypentan-3-one (PubChem CID 83226669) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-phenyl-2-propoxypentan-3-one.

Molecular Properties

Compound Name1-phenyl-2-propoxypentan-3-one
PubChem CID83226669
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-phenyl-2-propoxypentan-3-one
SMILESCCCOC(Cc1ccccc1)C(=O)CC
InChIInChI=1S/C14H20O2/c1-3-10-16-14(13(15)4-2)11-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyXJBSLVOQNARMPD-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-phenyl-2-phenylmethoxypentan-3-one
CID 11807696
6-phenyl-4-propoxyheptan-3-one
CID 83226446
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
2-(2-methoxyethoxy)-3-phenylpropanoic acid
CID 10176890
2-ethoxy-3-phenylpropanoic acid
CID 54403311
ethyl (2R)-2-benzyl-3-oxopentanoate
CID 102294334
(2R)-3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 100534108
3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 133240512
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
3-(2-fluorophenyl)-2-propoxypropanoic acid
CID 133245291
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propoxypentan-3-one?
The IUPAC name of 1-phenyl-2-propoxypentan-3-one (CID 83226669) is 1-phenyl-2-propoxypentan-3-one.
What is the SMILES notation for 1-phenyl-2-propoxypentan-3-one?
The canonical SMILES for 1-phenyl-2-propoxypentan-3-one is CCCOC(Cc1ccccc1)C(=O)CC.
What is the InChIKey of 1-phenyl-2-propoxypentan-3-one?
The InChIKey is XJBSLVOQNARMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-10-16-14(13(15)4-2)11-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3.
What are the key properties of 1-phenyl-2-propoxypentan-3-one?
1-phenyl-2-propoxypentan-3-one has a molecular weight of 220.31 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propoxypentan-3-one is sourced from PubChem (CID 83226669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).