5-methoxy-1-phenylmethoxypentan-2-one

C13H18O3 — CID 130933829

IUPAC5-methoxy-1-phenylmethoxypentan-2-one
SMILESCOCCCC(=O)COCc1ccccc1
InChIInChI=1S/C13H18O3/c1-15-9-5-8-13(14)11-16-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyKKDOIDFJMOTSDB-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.20
Rot. Bonds8

About 5-methoxy-1-phenylmethoxypentan-2-one

5-methoxy-1-phenylmethoxypentan-2-one (PubChem CID 130933829) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 5-methoxy-1-phenylmethoxypentan-2-one.

Molecular Properties

Compound Name5-methoxy-1-phenylmethoxypentan-2-one
PubChem CID130933829
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name5-methoxy-1-phenylmethoxypentan-2-one
SMILESCOCCCC(=O)COCc1ccccc1
InChIInChI=1S/C13H18O3/c1-15-9-5-8-13(14)11-16-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyKKDOIDFJMOTSDB-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1-phenoxypentan-2-one
CID 115601921
5,5-dimethyl-1-phenylmethoxyhexan-2-one
CID 131052640
methyl 3-oxo-4-phenylmethoxybutanoate
CID 12768799
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
1-(methylamino)-6-phenylmethoxyhexan-3-one
CID 130588813
(2-oxo-6-phenylmethoxyhexyl) methanesulfonate
CID 135042335
1-(methylamino)-3-phenylmethoxypropan-2-one
CID 143048834
benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate
CID 158392584
3-oxo-6-phenylmethoxyhexanenitrile
CID 14769837
3-methoxy-N-phenylmethoxypropan-1-amine
CID 64974237
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenylmethoxypentan-2-one?
The IUPAC name of 5-methoxy-1-phenylmethoxypentan-2-one (CID 130933829) is 5-methoxy-1-phenylmethoxypentan-2-one.
What is the SMILES notation for 5-methoxy-1-phenylmethoxypentan-2-one?
The canonical SMILES for 5-methoxy-1-phenylmethoxypentan-2-one is COCCCC(=O)COCc1ccccc1.
What is the InChIKey of 5-methoxy-1-phenylmethoxypentan-2-one?
The InChIKey is KKDOIDFJMOTSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-9-5-8-13(14)11-16-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of 5-methoxy-1-phenylmethoxypentan-2-one?
5-methoxy-1-phenylmethoxypentan-2-one has a molecular weight of 222.28 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenylmethoxypentan-2-one is sourced from PubChem (CID 130933829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).