5-methoxy-1-phenoxypentan-2-one

C12H16O3 — CID 115601921

IUPAC5-methoxy-1-phenoxypentan-2-one
SMILESCOCCCC(=O)COc1ccccc1
InChIInChI=1S/C12H16O3/c1-14-9-5-6-11(13)10-15-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyLZDZJDBJLWFSRA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.06
Rot. Bonds7

About 5-methoxy-1-phenoxypentan-2-one

5-methoxy-1-phenoxypentan-2-one (PubChem CID 115601921) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methoxy-1-phenoxypentan-2-one.

Molecular Properties

Compound Name5-methoxy-1-phenoxypentan-2-one
PubChem CID115601921
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5-methoxy-1-phenoxypentan-2-one
SMILESCOCCCC(=O)COc1ccccc1
InChIInChI=1S/C12H16O3/c1-14-9-5-6-11(13)10-15-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyLZDZJDBJLWFSRA-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.06
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-phenylmethoxypentan-2-one
CID 130933829
1-methoxy-5-phenoxypentan-3-one
CID 114998471
1-phenoxy-4-propan-2-yloxybutan-2-one
CID 115001458
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
1,8-bis(4-methylphenoxy)octane-2,7-dione
CID 139326266
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
(2-oxo-3-phenoxypropyl)phosphonic acid
CID 22768553
dimethyl-octadecyl-(3-oxo-4-phenoxybutyl)azanium
CID 141454772
N-(3-methoxypropyl)-3-phenoxypropanimidate
CID 145047903
5-amino-1-(4-benzoylphenoxy)pentan-2-one
CID 58115304
2-methoxyethoxy(3-phenoxypropyl)phosphinic acid
CID 139679827
1-phenoxytridecan-3-one
CID 63411817

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenoxypentan-2-one?
The IUPAC name of 5-methoxy-1-phenoxypentan-2-one (CID 115601921) is 5-methoxy-1-phenoxypentan-2-one.
What is the SMILES notation for 5-methoxy-1-phenoxypentan-2-one?
The canonical SMILES for 5-methoxy-1-phenoxypentan-2-one is COCCCC(=O)COc1ccccc1.
What is the InChIKey of 5-methoxy-1-phenoxypentan-2-one?
The InChIKey is LZDZJDBJLWFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-9-5-6-11(13)10-15-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of 5-methoxy-1-phenoxypentan-2-one?
5-methoxy-1-phenoxypentan-2-one has a molecular weight of 208.26 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenoxypentan-2-one is sourced from PubChem (CID 115601921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).