2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid

C18H18O4 — CID 70244775

IUPAC2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid
SMILESCC(=O)c1ccc(CCc2ccccc2)c(OCC(=O)O)c1
InChIInChI=1S/C18H18O4/c1-13(19)16-10-9-15(17(11-16)22-12-18(20)21)8-7-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3,(H,20,21)
InChIKeyFHOBXNQQUXFUHI-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.14
Rot. Bonds7

About 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid

2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid (PubChem CID 70244775) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid
PubChem CID70244775
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid
SMILESCC(=O)c1ccc(CCc2ccccc2)c(OCC(=O)O)c1
InChIInChI=1S/C18H18O4/c1-13(19)16-10-9-15(17(11-16)22-12-18(20)21)8-7-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3,(H,20,21)
InChIKeyFHOBXNQQUXFUHI-UHFFFAOYSA-N
XLogP3.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
1-[3-fluoro-4-(4-phenylbutoxy)phenyl]ethanone
CID 114333678
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
CID 90901057
2-[5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-2-(2-phenylethoxy)phenoxy]acetic acid
CID 67579579
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
CID 102035798
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55420482
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid?
The IUPAC name of 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid (CID 70244775) is 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid is CC(=O)c1ccc(CCc2ccccc2)c(OCC(=O)O)c1.
What is the InChIKey of 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid?
The InChIKey is FHOBXNQQUXFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(19)16-10-9-15(17(11-16)22-12-18(20)21)8-7-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3,(H,20,21).
What are the key properties of 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid?
2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid has a molecular weight of 298.34 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid is sourced from PubChem (CID 70244775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).