2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid

C11H10Cl2O4 — CID 134656340

IUPAC2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(CCCl)c1cc(Cl)cc(C(O)C(=O)O)c1
InChIInChI=1S/C11H10Cl2O4/c12-2-1-9(14)6-3-7(5-8(13)4-6)10(15)11(16)17/h3-5,10,15H,1-2H2,(H,16,17)
InChIKeyQPACIFNZNDDBIJ-UHFFFAOYSA-N
MW277.10 g/mol
LogP2.27
Rot. Bonds5

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

2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134656340) has the molecular formula C11H10Cl2O4 and a molecular weight of 277.10 g/mol. Its IUPAC name is 2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
PubChem CID134656340
Molecular FormulaC11H10Cl2O4
Molecular Weight277.10 g/mol
Exact Mass276.00
IUPAC Name2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(CCCl)c1cc(Cl)cc(C(O)C(=O)O)c1
InChIInChI=1S/C11H10Cl2O4/c12-2-1-9(14)6-3-7(5-8(13)4-6)10(15)11(16)17/h3-5,10,15H,1-2H2,(H,16,17)
InChIKeyQPACIFNZNDDBIJ-UHFFFAOYSA-N
XLogP2.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-chloropropanoyl)-5-sulfanylphenyl]-2-hydroxyacetic acid
CID 134657560
2-[3-(3-chloropropanoyl)-5-ethylphenyl]-2-hydroxyacetic acid
CID 134655933
2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 72775330
1-[3,5-bis(difluoromethyl)phenyl]-3-chloropropan-1-one
CID 118813258
2-[3-(3-bromopropanoyl)-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134656662
2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 118829620
2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
CID 117305915
2-[3-bromo-5-(3-bromopropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656150
3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one
CID 134658373
2-[3-(3-bromopropanoyl)-5-methylphenyl]-2-hydroxyacetic acid
CID 134657720
(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid
CID 11183620
2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid
CID 135740900

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid (CID 134656340) is 2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid is O=C(CCCl)c1cc(Cl)cc(C(O)C(=O)O)c1.
What is the InChIKey of 2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is QPACIFNZNDDBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O4/c12-2-1-9(14)6-3-7(5-8(13)4-6)10(15)11(16)17/h3-5,10,15H,1-2H2,(H,16,17).
What are the key properties of 2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid?
2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 277.10 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134656340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).