1-methoxy-5-phenoxypentan-3-one

C12H16O3 — CID 114998471

IUPAC1-methoxy-5-phenoxypentan-3-one
SMILESCOCCC(=O)CCOc1ccccc1
InChIInChI=1S/C12H16O3/c1-14-9-7-11(13)8-10-15-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyQUSXHFSEEJAVMX-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.06
Rot. Bonds7

About 1-methoxy-5-phenoxypentan-3-one

1-methoxy-5-phenoxypentan-3-one (PubChem CID 114998471) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methoxy-5-phenoxypentan-3-one.

Molecular Properties

Compound Name1-methoxy-5-phenoxypentan-3-one
PubChem CID114998471
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-methoxy-5-phenoxypentan-3-one
SMILESCOCCC(=O)CCOc1ccccc1
InChIInChI=1S/C12H16O3/c1-14-9-7-11(13)8-10-15-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyQUSXHFSEEJAVMX-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

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Related Compounds

1-phenoxyhexan-3-one
CID 60797707
1-phenoxytridecan-3-one
CID 63411817
1-phenoxyoct-6-yn-3-one
CID 104803011
5-methoxy-1-phenoxypentan-2-one
CID 115601921
5-methyl-1-phenoxyhex-5-en-3-one
CID 79180149
1,1,1-trifluoro-5-phenoxypentan-3-one
CID 94504736
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
methyl N-(3-phenoxypropanoyl)carbamate
CID 15317639
propyl 3-phenoxypropanoate
CID 43389568
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
2-methoxyethoxy(3-phenoxypropyl)phosphinic acid
CID 139679827

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-phenoxypentan-3-one?
The IUPAC name of 1-methoxy-5-phenoxypentan-3-one (CID 114998471) is 1-methoxy-5-phenoxypentan-3-one.
What is the SMILES notation for 1-methoxy-5-phenoxypentan-3-one?
The canonical SMILES for 1-methoxy-5-phenoxypentan-3-one is COCCC(=O)CCOc1ccccc1.
What is the InChIKey of 1-methoxy-5-phenoxypentan-3-one?
The InChIKey is QUSXHFSEEJAVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-9-7-11(13)8-10-15-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3.
What are the key properties of 1-methoxy-5-phenoxypentan-3-one?
1-methoxy-5-phenoxypentan-3-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 1-methoxy-5-phenoxypentan-3-one is sourced from PubChem (CID 114998471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).