5-(2,6-dimethoxyphenoxy)pentan-2-one

C13H18O4 — CID 43793515

IUPAC5-(2,6-dimethoxyphenoxy)pentan-2-one
SMILESCOc1cccc(OC)c1OCCCC(C)=O
InChIInChI=1S/C13H18O4/c1-10(14)6-5-9-17-13-11(15-2)7-4-8-12(13)16-3/h4,7-8H,5-6,9H2,1-3H3
InChIKeyWAVRRBHUECPQLW-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.45
Rot. Bonds7

About 5-(2,6-dimethoxyphenoxy)pentan-2-one

5-(2,6-dimethoxyphenoxy)pentan-2-one (PubChem CID 43793515) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenoxy)pentan-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenoxy)pentan-2-one
PubChem CID43793515
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name5-(2,6-dimethoxyphenoxy)pentan-2-one
SMILESCOc1cccc(OC)c1OCCCC(C)=O
InChIInChI=1S/C13H18O4/c1-10(14)6-5-9-17-13-11(15-2)7-4-8-12(13)16-3/h4,7-8H,5-6,9H2,1-3H3
InChIKeyWAVRRBHUECPQLW-UHFFFAOYSA-N
XLogP2.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-bromo-6-methoxyphenoxy)hexan-2-one
CID 83140482
4-(2,6-dimethoxyphenoxy)butanethioamide
CID 24696993
6-(2-bromo-6-methoxyphenoxy)hexan-3-one
CID 106802157
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
6-[10-(5-oxohexoxy)anthracen-9-yl]oxyhexan-2-one
CID 172550093
4-(2-bromo-6-methoxyphenoxy)butanehydrazide
CID 83135162
4-(2-bromo-6-methoxyphenoxy)-1-phenylbutan-1-one
CID 83136474
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
1-(2,3-dimethoxyphenyl)-4-methoxybutan-1-one
CID 105135502
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenoxy)pentan-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenoxy)pentan-2-one (CID 43793515) is 5-(2,6-dimethoxyphenoxy)pentan-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenoxy)pentan-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenoxy)pentan-2-one is COc1cccc(OC)c1OCCCC(C)=O.
What is the InChIKey of 5-(2,6-dimethoxyphenoxy)pentan-2-one?
The InChIKey is WAVRRBHUECPQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(14)6-5-9-17-13-11(15-2)7-4-8-12(13)16-3/h4,7-8H,5-6,9H2,1-3H3.
What are the key properties of 5-(2,6-dimethoxyphenoxy)pentan-2-one?
5-(2,6-dimethoxyphenoxy)pentan-2-one has a molecular weight of 238.28 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenoxy)pentan-2-one is sourced from PubChem (CID 43793515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).