methyl 3-chloro-2-methoxypropanoate

C5H9ClO3 — CID 12641664

IUPACmethyl 3-chloro-2-methoxypropanoate
SMILESCOC(=O)C(CCl)OC
InChIInChI=1S/C5H9ClO3/c1-8-4(3-6)5(7)9-2/h4H,3H2,1-2H3
InChIKeyLAXPJABNNDAFQZ-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.41
Rot. Bonds3

About methyl 3-chloro-2-methoxypropanoate

methyl 3-chloro-2-methoxypropanoate (PubChem CID 12641664) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is methyl 3-chloro-2-methoxypropanoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-methoxypropanoate
PubChem CID12641664
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Namemethyl 3-chloro-2-methoxypropanoate
SMILESCOC(=O)C(CCl)OC
InChIInChI=1S/C5H9ClO3/c1-8-4(3-6)5(7)9-2/h4H,3H2,1-2H3
InChIKeyLAXPJABNNDAFQZ-UHFFFAOYSA-N
XLogP0.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-chloro-2-hydroxypropanoate
CID 12870056
Ethyl 3-chloro-2-hydroxypropanoate
CID 12870054
1-Chloro-3-methoxypropan-2-yl acetate
CID 55301299
6-Chloromethyl-3-methyl-1,4-dioxan-2-one
CID 12066318
methyl (2R,3R)-3-chloro-2-methoxybutanoate
CID 12641667
5-Chloromethyl-2-ethyl-2-methyl-1,3-dioxolan-4-one
CID 15495617
2-[(1-Chloropropan-2-yl)oxy]propanoic acid
CID 54360292
ethyl (2R)-3-chloro-2-hydroxypropanoate
CID 71354303
(2-Chloroethyl)[(1-methoxycarbonyl)-ethyl]carbonate
CID 129660257
2-(2-Chloro-propoxy)propanoic acid
CID 129774863
Methyl 3-chloro-2-fluoro-2-methoxypropanoate
CID 129921305
Ethyl 3-chloro-2-(2,2,2-trifluoroacetyl)oxypropanoate
CID 131854073

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-methoxypropanoate?
The IUPAC name of methyl 3-chloro-2-methoxypropanoate (CID 12641664) is methyl 3-chloro-2-methoxypropanoate.
What is the SMILES notation for methyl 3-chloro-2-methoxypropanoate?
The canonical SMILES for methyl 3-chloro-2-methoxypropanoate is COC(=O)C(CCl)OC.
What is the InChIKey of methyl 3-chloro-2-methoxypropanoate?
The InChIKey is LAXPJABNNDAFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3/c1-8-4(3-6)5(7)9-2/h4H,3H2,1-2H3.
What are the key properties of methyl 3-chloro-2-methoxypropanoate?
methyl 3-chloro-2-methoxypropanoate has a molecular weight of 152.58 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-methoxypropanoate is sourced from PubChem (CID 12641664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).