1-(2-propoxyphenoxy)pentan-2-one

C14H20O3 — CID 62043591

IUPAC1-(2-propoxyphenoxy)pentan-2-one
SMILESCCCOc1ccccc1OCC(=O)CCC
InChIInChI=1S/C14H20O3/c1-3-7-12(15)11-17-14-9-6-5-8-13(14)16-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeySUEUWXCLOVDAQB-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.22
Rot. Bonds8

About 1-(2-propoxyphenoxy)pentan-2-one

1-(2-propoxyphenoxy)pentan-2-one (PubChem CID 62043591) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-propoxyphenoxy)pentan-2-one.

Molecular Properties

Compound Name1-(2-propoxyphenoxy)pentan-2-one
PubChem CID62043591
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(2-propoxyphenoxy)pentan-2-one
SMILESCCCOc1ccccc1OCC(=O)CCC
InChIInChI=1S/C14H20O3/c1-3-7-12(15)11-17-14-9-6-5-8-13(14)16-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeySUEUWXCLOVDAQB-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 62041643
1-(2-prop-2-enylphenoxy)pentan-2-one
CID 62044058
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
1-(2,5-difluorophenoxy)pentan-2-one
CID 63269916
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
2-(2-propoxyphenoxy)ethanimidamide
CID 24701744
N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 78767853
N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
ethane;1-ethoxy-2-propoxybenzene;formic acid
CID 142473049
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
1-(chloromethoxy)-2-propoxybenzene
CID 79530194

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenoxy)pentan-2-one?
The IUPAC name of 1-(2-propoxyphenoxy)pentan-2-one (CID 62043591) is 1-(2-propoxyphenoxy)pentan-2-one.
What is the SMILES notation for 1-(2-propoxyphenoxy)pentan-2-one?
The canonical SMILES for 1-(2-propoxyphenoxy)pentan-2-one is CCCOc1ccccc1OCC(=O)CCC.
What is the InChIKey of 1-(2-propoxyphenoxy)pentan-2-one?
The InChIKey is SUEUWXCLOVDAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-7-12(15)11-17-14-9-6-5-8-13(14)16-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of 1-(2-propoxyphenoxy)pentan-2-one?
1-(2-propoxyphenoxy)pentan-2-one has a molecular weight of 236.31 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenoxy)pentan-2-one is sourced from PubChem (CID 62043591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).