1-chloroethyl 2-hydroxypropanoate

C5H9ClO3 — CID 151805922

IUPAC1-chloroethyl 2-hydroxypropanoate
SMILESCC(Cl)OC(=O)C(C)O
InChIInChI=1S/C5H9ClO3/c1-3(7)5(8)9-4(2)6/h3-4,7H,1-2H3
InChIKeyRZPGDIFWHAVVMD-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.50
Rot. Bonds2

About 1-chloroethyl 2-hydroxypropanoate

1-chloroethyl 2-hydroxypropanoate (PubChem CID 151805922) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is 1-chloroethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name1-chloroethyl 2-hydroxypropanoate
PubChem CID151805922
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Name1-chloroethyl 2-hydroxypropanoate
SMILESCC(Cl)OC(=O)C(C)O
InChIInChI=1S/C5H9ClO3/c1-3(7)5(8)9-4(2)6/h3-4,7H,1-2H3
InChIKeyRZPGDIFWHAVVMD-UHFFFAOYSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
[(1S)-1-chloroethyl] [(1R)-1-chloroethyl] carbonate
CID 124561868
[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 171574306
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
3-(2-chloropropanoyloxy)butan-2-yl 2-chloropropanoate
CID 102279540
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
[chloro(phenyl)methyl] 2-hydroxypropanoate
CID 69060482
pent-4-yn-2-yl (2S)-2-hydroxypropanoate
CID 131206663
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
[2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate
CID 76972802
1-cyclopropylethyl (2S)-2-hydroxypropanoate
CID 131206662

Frequently Asked Questions

What is the IUPAC name of 1-chloroethyl 2-hydroxypropanoate?
The IUPAC name of 1-chloroethyl 2-hydroxypropanoate (CID 151805922) is 1-chloroethyl 2-hydroxypropanoate.
What is the SMILES notation for 1-chloroethyl 2-hydroxypropanoate?
The canonical SMILES for 1-chloroethyl 2-hydroxypropanoate is CC(Cl)OC(=O)C(C)O.
What is the InChIKey of 1-chloroethyl 2-hydroxypropanoate?
The InChIKey is RZPGDIFWHAVVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3/c1-3(7)5(8)9-4(2)6/h3-4,7H,1-2H3.
What are the key properties of 1-chloroethyl 2-hydroxypropanoate?
1-chloroethyl 2-hydroxypropanoate has a molecular weight of 152.58 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl 2-hydroxypropanoate is sourced from PubChem (CID 151805922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).