(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid

C16H14O4 — CID 7062308

IUPAC(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
SMILESCC(=O)c1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H14O4/c1-11(17)12-7-9-14(10-8-12)20-15(16(18)19)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,19)/t15-/m1/s1
InChIKeyBMEHMYIRXJTQGE-OAHLLOKOSA-N
MW270.28 g/mol
LogP3.09
Rot. Bonds5

About (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid

(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid (PubChem CID 7062308) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
PubChem CID7062308
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
SMILESCC(=O)c1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H14O4/c1-11(17)12-7-9-14(10-8-12)20-15(16(18)19)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,19)/t15-/m1/s1
InChIKeyBMEHMYIRXJTQGE-OAHLLOKOSA-N
XLogP3.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid
CID 107714446
2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
CID 43822990
2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid
CID 12754883
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-(4-bromo-3-methylphenoxy)-2-phenylacetic acid
CID 20994318
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
CID 22025249
CID 22025249

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid (CID 7062308) is (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid is CC(=O)c1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid?
The InChIKey is BMEHMYIRXJTQGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14O4/c1-11(17)12-7-9-14(10-8-12)20-15(16(18)19)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid?
(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid has a molecular weight of 270.28 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetylphenoxy)-2-phenylacetic acid is sourced from PubChem (CID 7062308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).