2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid

C11H10ClIO4 — CID 135740900

IUPAC2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid
SMILESO=C(CCCl)c1ccc(I)c(C(O)C(=O)O)c1
InChIInChI=1S/C11H10ClIO4/c12-4-3-9(14)6-1-2-8(13)7(5-6)10(15)11(16)17/h1-2,5,10,15H,3-4H2,(H,16,17)
InChIKeyREYCYEJRZFTOMV-UHFFFAOYSA-N
MW368.55 g/mol
LogP2.22
Rot. Bonds5

About 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid

2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid (PubChem CID 135740900) has the molecular formula C11H10ClIO4 and a molecular weight of 368.55 g/mol. Its IUPAC name is 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid
PubChem CID135740900
Molecular FormulaC11H10ClIO4
Molecular Weight368.55 g/mol
Exact Mass367.93
IUPAC Name2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid
SMILESO=C(CCCl)c1ccc(I)c(C(O)C(=O)O)c1
InChIInChI=1S/C11H10ClIO4/c12-4-3-9(14)6-1-2-8(13)7(5-6)10(15)11(16)17/h1-2,5,10,15H,3-4H2,(H,16,17)
InChIKeyREYCYEJRZFTOMV-UHFFFAOYSA-N
XLogP2.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 118829620
2-[2-(bromomethyl)-4-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656322
3-chloro-1-[4-iodo-3-(trifluoromethyl)phenyl]propan-1-one
CID 134638127
2-hydroxy-2-(2-iodo-4-propanoylphenyl)acetic acid
CID 134657448
2-[5-(3-bromopropanoyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 135741133
4-(3-chloropropanoyl)-2-iodobenzaldehyde
CID 118812658
2-[2-(3-chloropropanoyl)-5-sulfanylphenyl]-2-hydroxyacetic acid
CID 118825403
2-[5-(3-bromopropanoyl)-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134656604
2-[3-(3-chloropropanoyl)-5-sulfanylphenyl]-2-hydroxyacetic acid
CID 134657560
2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656340
2-[2-(3-chloropropanoyl)-4-formylphenyl]-2-hydroxyacetic acid
CID 118814149
2-[2-(3-chloropropanoyl)-4-methylsulfanylphenyl]-2-hydroxyacetic acid
CID 118831083

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid (CID 135740900) is 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid is O=C(CCCl)c1ccc(I)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid?
The InChIKey is REYCYEJRZFTOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIO4/c12-4-3-9(14)6-1-2-8(13)7(5-6)10(15)11(16)17/h1-2,5,10,15H,3-4H2,(H,16,17).
What are the key properties of 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid?
2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid has a molecular weight of 368.55 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 135740900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).