6-phenyl-4-propoxyheptan-3-one

C16H24O2 — CID 83226446

IUPAC6-phenyl-4-propoxyheptan-3-one
SMILESCCCOC(CC(C)c1ccccc1)C(=O)CC
InChIInChI=1S/C16H24O2/c1-4-11-18-16(15(17)5-2)12-13(3)14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12H2,1-3H3
InChIKeyWJRUTSGELVKXGY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.95
Rot. Bonds8

About 6-phenyl-4-propoxyheptan-3-one

6-phenyl-4-propoxyheptan-3-one (PubChem CID 83226446) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-phenyl-4-propoxyheptan-3-one.

Molecular Properties

Compound Name6-phenyl-4-propoxyheptan-3-one
PubChem CID83226446
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name6-phenyl-4-propoxyheptan-3-one
SMILESCCCOC(CC(C)c1ccccc1)C(=O)CC
InChIInChI=1S/C16H24O2/c1-4-11-18-16(15(17)5-2)12-13(3)14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12H2,1-3H3
InChIKeyWJRUTSGELVKXGY-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-propoxypentan-3-one
CID 83226669
(1-phenyl-1-propoxypropan-2-yl) propanoate
CID 155148718
propyl (2R)-2-phenylpropanoate
CID 14926551
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
barium(2+);hydride;2-(2-phenylpropyl)propanedioic acid
CID 174968808
3-methyl-5-phenylhexan-2-one
CID 22898138
ethyl 3-oxo-2-phenylpentanoate
CID 57306037
1-phenyl-2-propoxypropan-1-one
CID 43801137
ethyl 3-hydroxy-5-phenyl-2-propan-2-ylhexanoate
CID 62399205
(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
4-phenyl-2-propan-2-ylpentanoic acid
CID 67132291
2-phenyl-2-propoxyacetohydrazide
CID 63569629

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-propoxyheptan-3-one?
The IUPAC name of 6-phenyl-4-propoxyheptan-3-one (CID 83226446) is 6-phenyl-4-propoxyheptan-3-one.
What is the SMILES notation for 6-phenyl-4-propoxyheptan-3-one?
The canonical SMILES for 6-phenyl-4-propoxyheptan-3-one is CCCOC(CC(C)c1ccccc1)C(=O)CC.
What is the InChIKey of 6-phenyl-4-propoxyheptan-3-one?
The InChIKey is WJRUTSGELVKXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-11-18-16(15(17)5-2)12-13(3)14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12H2,1-3H3.
What are the key properties of 6-phenyl-4-propoxyheptan-3-one?
6-phenyl-4-propoxyheptan-3-one has a molecular weight of 248.37 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-propoxyheptan-3-one is sourced from PubChem (CID 83226446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).