(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid

C11H11ClO4 — CID 10538158

IUPAC(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
SMILESCC(=O)OC[C@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO4/c1-7(13)16-6-10(11(14)15)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyYFPSEKKBVWQAMV-JTQLQIEISA-N
MW242.66 g/mol
LogP2.07
Rot. Bonds4

About (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid

(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid (PubChem CID 10538158) has the molecular formula C11H11ClO4 and a molecular weight of 242.66 g/mol. Its IUPAC name is (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
PubChem CID10538158
Molecular FormulaC11H11ClO4
Molecular Weight242.66 g/mol
Exact Mass242.03
IUPAC Name(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
SMILESCC(=O)OC[C@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO4/c1-7(13)16-6-10(11(14)15)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyYFPSEKKBVWQAMV-JTQLQIEISA-N
XLogP2.07
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetyloxymethoxycarbonylamino)-2-(4-chlorophenyl)butanoic acid
CID 66752917
3-acetyloxy-2-(4-chlorophenoxy)propanoic acid
CID 172798358
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
2-(4-chlorophenyl)-4-ethylsulfonylbutanoic acid
CID 79434809
[2-(4-chlorophenyl)-2-thiocyanatoethyl] acetate
CID 86062997
2-(4-chlorophenyl)-4-ethoxybutanoic acid
CID 79440541
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
2-(4-chlorophenyl)-4-hydroxyhexanoic acid
CID 79441149
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590790
(2S)-2-(4-chlorophenyl)pent-4-enoic acid
CID 11447156

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid?
The IUPAC name of (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid (CID 10538158) is (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid.
What is the SMILES notation for (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid?
The canonical SMILES for (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid is CC(=O)OC[C@H](C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid?
The InChIKey is YFPSEKKBVWQAMV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11ClO4/c1-7(13)16-6-10(11(14)15)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid?
(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid has a molecular weight of 242.66 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid is sourced from PubChem (CID 10538158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).