butan-2-yl 2-(2-acetylphenoxy)propanoate

C15H20O4 — CID 82312031

IUPACbutan-2-yl 2-(2-acetylphenoxy)propanoate
SMILESCCC(C)OC(=O)C(C)Oc1ccccc1C(C)=O
InChIInChI=1S/C15H20O4/c1-5-10(2)18-15(17)12(4)19-14-9-7-6-8-13(14)11(3)16/h6-10,12H,5H2,1-4H3
InChIKeyDVMWDXFNETVWKS-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.00
Rot. Bonds6

About butan-2-yl 2-(2-acetylphenoxy)propanoate

butan-2-yl 2-(2-acetylphenoxy)propanoate (PubChem CID 82312031) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is butan-2-yl 2-(2-acetylphenoxy)propanoate.

Molecular Properties

Compound Namebutan-2-yl 2-(2-acetylphenoxy)propanoate
PubChem CID82312031
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namebutan-2-yl 2-(2-acetylphenoxy)propanoate
SMILESCCC(C)OC(=O)C(C)Oc1ccccc1C(C)=O
InChIInChI=1S/C15H20O4/c1-5-10(2)18-15(17)12(4)19-14-9-7-6-8-13(14)11(3)16/h6-10,12H,5H2,1-4H3
InChIKeyDVMWDXFNETVWKS-UHFFFAOYSA-N
XLogP3.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
2-methylpropyl 2-(2-acetylphenoxy)propanoate
CID 82312033
3-(2-acetylphenoxy)butan-2-one
CID 82312052
benzyl 2-(2-acetylphenoxy)propanoate
CID 82312028
ethyl 2-(2-acetylphenoxy)-3-methylbutanoate
CID 15741885
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628
1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
CID 129322733
2-butan-2-yloxybenzoyl chloride
CID 134306055
propan-2-yl 2-(2-aminophenoxy)propanoate
CID 82027633
2-bromo-1-(2-propan-2-yloxyphenyl)ethanone;1-(2-hydroxyphenyl)ethanone;1-(2-propan-2-yloxyphenyl)ethanone
CID 157160076
(2-acetylphenyl) methyl carbonate
CID 14493761
1-[2-[fluoro(phenyl)methoxy]phenyl]ethanone
CID 57364040

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(2-acetylphenoxy)propanoate?
The IUPAC name of butan-2-yl 2-(2-acetylphenoxy)propanoate (CID 82312031) is butan-2-yl 2-(2-acetylphenoxy)propanoate.
What is the SMILES notation for butan-2-yl 2-(2-acetylphenoxy)propanoate?
The canonical SMILES for butan-2-yl 2-(2-acetylphenoxy)propanoate is CCC(C)OC(=O)C(C)Oc1ccccc1C(C)=O.
What is the InChIKey of butan-2-yl 2-(2-acetylphenoxy)propanoate?
The InChIKey is DVMWDXFNETVWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-10(2)18-15(17)12(4)19-14-9-7-6-8-13(14)11(3)16/h6-10,12H,5H2,1-4H3.
What are the key properties of butan-2-yl 2-(2-acetylphenoxy)propanoate?
butan-2-yl 2-(2-acetylphenoxy)propanoate has a molecular weight of 264.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(2-acetylphenoxy)propanoate is sourced from PubChem (CID 82312031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).