2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid

C11H11ClO4 — CID 118991203

IUPAC2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
SMILESCCC(=O)c1cccc(C(O)C(=O)O)c1Cl
InChIInChI=1S/C11H11ClO4/c1-2-8(13)6-4-3-5-7(9(6)12)10(14)11(15)16/h3-5,10,14H,2H2,1H3,(H,15,16)
InChIKeyPBIOMQAZWRSLTD-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.05
Rot. Bonds4

About 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid

2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid (PubChem CID 118991203) has the molecular formula C11H11ClO4 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
PubChem CID118991203
Molecular FormulaC11H11ClO4
Molecular Weight242.66 g/mol
Exact Mass242.03
IUPAC Name2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
SMILESCCC(=O)c1cccc(C(O)C(=O)O)c1Cl
InChIInChI=1S/C11H11ClO4/c1-2-8(13)6-4-3-5-7(9(6)12)10(14)11(15)16/h3-5,10,14H,2H2,1H3,(H,15,16)
InChIKeyPBIOMQAZWRSLTD-UHFFFAOYSA-N
XLogP2.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3-propanoylphenyl)-2-hydroxyacetic acid
CID 119019109
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
2-(2-bromo-6-propanoylphenyl)-2-hydroxyacetic acid
CID 135741057
2-(2-amino-6-propanoylphenyl)-2-hydroxyacetic acid
CID 118994892
2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid
CID 19743044
2-(3-formyl-2-propanoylphenyl)-2-hydroxyacetic acid
CID 134657170
2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid
CID 118850226
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
2-[2-chloro-3-(3-ethoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 119021094
2-[2-chloro-3-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 119007903
2-[5-(bromomethyl)-2-propanoylphenyl]-2-hydroxyacetic acid
CID 134656297
2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid
CID 134656304

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid (CID 118991203) is 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid is CCC(=O)c1cccc(C(O)C(=O)O)c1Cl.
What is the InChIKey of 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid?
The InChIKey is PBIOMQAZWRSLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4/c1-2-8(13)6-4-3-5-7(9(6)12)10(14)11(15)16/h3-5,10,14H,2H2,1H3,(H,15,16).
What are the key properties of 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid?
2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid has a molecular weight of 242.66 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 118991203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).