2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid

C17H16O5 — CID 43822990

IUPAC2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
SMILESCOc1cc(C(C)=O)ccc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H16O5/c1-11(18)13-8-9-14(15(10-13)21-2)22-16(17(19)20)12-6-4-3-5-7-12/h3-10,16H,1-2H3,(H,19,20)
InChIKeyOGADCESQNLSNJE-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid

2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid (PubChem CID 43822990) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
PubChem CID43822990
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
SMILESCOc1cc(C(C)=O)ccc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H16O5/c1-11(18)13-8-9-14(15(10-13)21-2)22-16(17(19)20)12-6-4-3-5-7-12/h3-10,16H,1-2H3,(H,19,20)
InChIKeyOGADCESQNLSNJE-UHFFFAOYSA-N
XLogP3.10
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 7547758
(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
CID 7062308
(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55327013
methyl 3-methoxy-4-[(1S)-1-phenylethoxy]benzoate
CID 121407788
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
CID 22015651
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7715221
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
CID 55643256
(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367895

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid (CID 43822990) is 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid is COc1cc(C(C)=O)ccc1OC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid?
The InChIKey is OGADCESQNLSNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-11(18)13-8-9-14(15(10-13)21-2)22-16(17(19)20)12-6-4-3-5-7-12/h3-10,16H,1-2H3,(H,19,20).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid?
2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid has a molecular weight of 300.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid is sourced from PubChem (CID 43822990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).