2-methyl-2-(3-pentanoylphenoxy)propanoic acid

C15H20O4 — CID 71382552

IUPAC2-methyl-2-(3-pentanoylphenoxy)propanoic acid
SMILESCCCCC(=O)c1cccc(OC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H20O4/c1-4-5-9-13(16)11-7-6-8-12(10-11)19-15(2,3)14(17)18/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyQMGLDGWIAFDIGR-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.30
Rot. Bonds7

About 2-methyl-2-(3-pentanoylphenoxy)propanoic acid

2-methyl-2-(3-pentanoylphenoxy)propanoic acid (PubChem CID 71382552) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-2-(3-pentanoylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-pentanoylphenoxy)propanoic acid
PubChem CID71382552
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-methyl-2-(3-pentanoylphenoxy)propanoic acid
SMILESCCCCC(=O)c1cccc(OC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H20O4/c1-4-5-9-13(16)11-7-6-8-12(10-11)19-15(2,3)14(17)18/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyQMGLDGWIAFDIGR-UHFFFAOYSA-N
XLogP3.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
3-pentanoyloxybenzoic acid
CID 54854776
1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one
CID 91658409
ethane;1-phenylpentan-1-one
CID 143728184
(3-butanoylphenyl) benzoate
CID 141249962
7-chloro-1-[3-(trifluoromethoxy)phenyl]heptan-1-one
CID 24726789
2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid
CID 54413560
2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 83820236
2,2-dimethyl-3-(3-octadecoxyphenyl)-3-oxopropanoic acid
CID 23036063
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
5-oxo-5-(3-phenoxyphenyl)pentanoic acid
CID 11659220
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-pentanoylphenoxy)propanoic acid?
The IUPAC name of 2-methyl-2-(3-pentanoylphenoxy)propanoic acid (CID 71382552) is 2-methyl-2-(3-pentanoylphenoxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-pentanoylphenoxy)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-pentanoylphenoxy)propanoic acid is CCCCC(=O)c1cccc(OC(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-(3-pentanoylphenoxy)propanoic acid?
The InChIKey is QMGLDGWIAFDIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-5-9-13(16)11-7-6-8-12(10-11)19-15(2,3)14(17)18/h6-8,10H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(3-pentanoylphenoxy)propanoic acid?
2-methyl-2-(3-pentanoylphenoxy)propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-pentanoylphenoxy)propanoic acid is sourced from PubChem (CID 71382552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).