methyl 3-chloro-2-hydroxypropanoate

C4H7ClO3 — CID 12870056

IUPACmethyl 3-chloro-2-hydroxypropanoate
SMILESCOC(=O)C(O)CCl
InChIInChI=1S/C4H7ClO3/c1-8-4(7)3(6)2-5/h3,6H,2H2,1H3
InChIKeyPKYMVZYRXABHDE-UHFFFAOYSA-N
MW138.55 g/mol
LogP-0.24
Rot. Bonds2

About methyl 3-chloro-2-hydroxypropanoate

methyl 3-chloro-2-hydroxypropanoate (PubChem CID 12870056) has the molecular formula C4H7ClO3 and a molecular weight of 138.55 g/mol. Its IUPAC name is methyl 3-chloro-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-hydroxypropanoate
PubChem CID12870056
Molecular FormulaC4H7ClO3
Molecular Weight138.55 g/mol
Exact Mass138.01
IUPAC Namemethyl 3-chloro-2-hydroxypropanoate
SMILESCOC(=O)C(O)CCl
InChIInChI=1S/C4H7ClO3/c1-8-4(7)3(6)2-5/h3,6H,2H2,1H3
InChIKeyPKYMVZYRXABHDE-UHFFFAOYSA-N
XLogP-0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.55
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-hydroxypropanoate?
The IUPAC name of methyl 3-chloro-2-hydroxypropanoate (CID 12870056) is methyl 3-chloro-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-chloro-2-hydroxypropanoate?
The canonical SMILES for methyl 3-chloro-2-hydroxypropanoate is COC(=O)C(O)CCl.
What is the InChIKey of methyl 3-chloro-2-hydroxypropanoate?
The InChIKey is PKYMVZYRXABHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO3/c1-8-4(7)3(6)2-5/h3,6H,2H2,1H3.
What are the key properties of methyl 3-chloro-2-hydroxypropanoate?
methyl 3-chloro-2-hydroxypropanoate has a molecular weight of 138.55 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-hydroxypropanoate is sourced from PubChem (CID 12870056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).