3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid

C13H16O5 — CID 43537568

IUPAC3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
SMILESCOc1cc(C(C)=O)ccc1OCC(C)C(=O)O
InChIInChI=1S/C13H16O5/c1-8(13(15)16)7-18-11-5-4-10(9(2)14)6-12(11)17-3/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyFADAJQHDGYNYEC-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.00
Rot. Bonds6

About 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid

3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid (PubChem CID 43537568) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
PubChem CID43537568
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
SMILESCOc1cc(C(C)=O)ccc1OCC(C)C(=O)O
InChIInChI=1S/C13H16O5/c1-8(13(15)16)7-18-11-5-4-10(9(2)14)6-12(11)17-3/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyFADAJQHDGYNYEC-UHFFFAOYSA-N
XLogP2.00
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
3-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-methylamino]-2-methylpropanoic acid
CID 119227817
1-[4-(2-bromo-3,3,3-trifluoropropoxy)-3-methoxyphenyl]ethanone
CID 64759126
2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid
CID 65442777
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone
CID 109414325
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
CID 63531574
1-[4-[(2S)-3-[4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 51623805
1-[4-[2-(bromomethyl)pentoxy]-3-methoxyphenyl]ethanone
CID 65010866
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-prop-2-enylazanium
CID 2550581
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid?
The IUPAC name of 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid (CID 43537568) is 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid is COc1cc(C(C)=O)ccc1OCC(C)C(=O)O.
What is the InChIKey of 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid?
The InChIKey is FADAJQHDGYNYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-8(13(15)16)7-18-11-5-4-10(9(2)14)6-12(11)17-3/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid?
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid has a molecular weight of 252.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 43537568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).