(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid

C10H9ClO4 — CID 86332935

IUPAC(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO4/c1-6(12)15-9(10(13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,13,14)/t9-/m1/s1
InChIKeyMIZLPLOCVAAQMG-SECBINFHSA-N
MW228.63 g/mol
LogP2.03
Rot. Bonds3

About (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid

(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid (PubChem CID 86332935) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
PubChem CID86332935
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO4/c1-6(12)15-9(10(13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,13,14)/t9-/m1/s1
InChIKeyMIZLPLOCVAAQMG-SECBINFHSA-N
XLogP2.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate
CID 102028117
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627
[(1S)-2-acetamido-1-(4-chlorophenyl)ethyl] acetate
CID 14954517
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
CID 10538158
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
(2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid
CID 124505606
2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 23335826
CID 6328799
CID 6328799
[(4-chlorophenyl)-[methyl(nitroso)amino]methyl] acetate
CID 101035806
[1-(4-chlorophenyl)-2-nitropropyl] acetate
CID 11043413

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid (CID 86332935) is (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid is CC(=O)O[C@@H](C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid?
The InChIKey is MIZLPLOCVAAQMG-SECBINFHSA-N. The full InChI is InChI=1S/C10H9ClO4/c1-6(12)15-9(10(13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid?
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid has a molecular weight of 228.63 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 86332935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).