methyl 2-(2-chlorophenyl)-3-methoxypropanoate

C11H13ClO3 — CID 117244467

IUPACmethyl 2-(2-chlorophenyl)-3-methoxypropanoate
SMILESCOCC(C(=O)OC)c1ccccc1Cl
InChIInChI=1S/C11H13ClO3/c1-14-7-9(11(13)15-2)8-5-3-4-6-10(8)12/h3-6,9H,7H2,1-2H3
InChIKeyCMPHTACBEQIDET-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.24
Rot. Bonds4

About methyl 2-(2-chlorophenyl)-3-methoxypropanoate

methyl 2-(2-chlorophenyl)-3-methoxypropanoate (PubChem CID 117244467) has the molecular formula C11H13ClO3 and a molecular weight of 228.68 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-3-methoxypropanoate
PubChem CID117244467
Molecular FormulaC11H13ClO3
Molecular Weight228.68 g/mol
Exact Mass228.06
IUPAC Namemethyl 2-(2-chlorophenyl)-3-methoxypropanoate
SMILESCOCC(C(=O)OC)c1ccccc1Cl
InChIInChI=1S/C11H13ClO3/c1-14-7-9(11(13)15-2)8-5-3-4-6-10(8)12/h3-6,9H,7H2,1-2H3
InChIKeyCMPHTACBEQIDET-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
CID 117244378
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
CID 78845715
2-(2-chlorophenyl)butanoate
CID 22456439
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100
methyl 2-benzylsulfanyl-2-(2-chlorophenyl)acetate
CID 101493270
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
methyl (2S)-4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butanoate
CID 125465921
ethyl 2-(2-chlorophenyl)-3-phenylpropanoate
CID 169227908
1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol
CID 167646139
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-3-methoxypropanoate?
The IUPAC name of methyl 2-(2-chlorophenyl)-3-methoxypropanoate (CID 117244467) is methyl 2-(2-chlorophenyl)-3-methoxypropanoate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-3-methoxypropanoate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-3-methoxypropanoate is COCC(C(=O)OC)c1ccccc1Cl.
What is the InChIKey of methyl 2-(2-chlorophenyl)-3-methoxypropanoate?
The InChIKey is CMPHTACBEQIDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-14-7-9(11(13)15-2)8-5-3-4-6-10(8)12/h3-6,9H,7H2,1-2H3.
What are the key properties of methyl 2-(2-chlorophenyl)-3-methoxypropanoate?
methyl 2-(2-chlorophenyl)-3-methoxypropanoate has a molecular weight of 228.68 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-3-methoxypropanoate is sourced from PubChem (CID 117244467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).