1-pentan-2-yloxy-3-phenylpropan-2-one

C14H20O2 — CID 102982877

IUPAC1-pentan-2-yloxy-3-phenylpropan-2-one
SMILESCCCC(C)OCC(=O)Cc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-12(2)16-11-14(15)10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3
InChIKeyDIIXQPXSVUDJEC-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.00
Rot. Bonds7

About 1-pentan-2-yloxy-3-phenylpropan-2-one

1-pentan-2-yloxy-3-phenylpropan-2-one (PubChem CID 102982877) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-pentan-2-yloxy-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-pentan-2-yloxy-3-phenylpropan-2-one
PubChem CID102982877
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-pentan-2-yloxy-3-phenylpropan-2-one
SMILESCCCC(C)OCC(=O)Cc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-12(2)16-11-14(15)10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3
InChIKeyDIIXQPXSVUDJEC-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

ethyl (2S)-2-methyl-4-oxo-5-phenylpentanoate
CID 146342597
1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one
CID 106448309
1-(4-fluorophenyl)-3-(4-methylpentan-2-yloxy)propan-2-one
CID 43799042
1,3-diphenyl(213C)propan-2-one
CID 100945080
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone
CID 102982848
[(2S)-pentan-2-yl] benzoate
CID 101019298
3-iodo-1-phenylhexan-2-one
CID 10990286
1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
CID 54946725
2-[4-[(2R)-pentan-2-yl]oxyphenyl]acetic acid
CID 124632287
2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid
CID 102983991

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yloxy-3-phenylpropan-2-one?
The IUPAC name of 1-pentan-2-yloxy-3-phenylpropan-2-one (CID 102982877) is 1-pentan-2-yloxy-3-phenylpropan-2-one.
What is the SMILES notation for 1-pentan-2-yloxy-3-phenylpropan-2-one?
The canonical SMILES for 1-pentan-2-yloxy-3-phenylpropan-2-one is CCCC(C)OCC(=O)Cc1ccccc1.
What is the InChIKey of 1-pentan-2-yloxy-3-phenylpropan-2-one?
The InChIKey is DIIXQPXSVUDJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-7-12(2)16-11-14(15)10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3.
What are the key properties of 1-pentan-2-yloxy-3-phenylpropan-2-one?
1-pentan-2-yloxy-3-phenylpropan-2-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-pentan-2-yloxy-3-phenylpropan-2-one is sourced from PubChem (CID 102982877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).