methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate

C17H17ClO3 — CID 117243342

IUPACmethyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
SMILESCOC(=O)C(COc1ccccc1Cl)c1cccc(C)c1
InChIInChI=1S/C17H17ClO3/c1-12-6-5-7-13(10-12)14(17(19)20-2)11-21-16-9-4-3-8-15(16)18/h3-10,14H,11H2,1-2H3
InChIKeyFIHQANMYWIOYLI-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.98
Rot. Bonds5

About methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate

methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate (PubChem CID 117243342) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
PubChem CID117243342
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Namemethyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
SMILESCOC(=O)C(COc1ccccc1Cl)c1cccc(C)c1
InChIInChI=1S/C17H17ClO3/c1-12-6-5-7-13(10-12)14(17(19)20-2)11-21-16-9-4-3-8-15(16)18/h3-10,14H,11H2,1-2H3
InChIKeyFIHQANMYWIOYLI-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methoxy-2-(3-methylphenyl)propanoate
CID 117243517
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
methyl 3-(methylamino)-2-(3-methylphenyl)propanoate
CID 117243238
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
3-(2-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243339
methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate
CID 70532958
methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472
methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
CID 117241320
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate?
The IUPAC name of methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate (CID 117243342) is methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate?
The canonical SMILES for methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate is COC(=O)C(COc1ccccc1Cl)c1cccc(C)c1.
What is the InChIKey of methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate?
The InChIKey is FIHQANMYWIOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-12-6-5-7-13(10-12)14(17(19)20-2)11-21-16-9-4-3-8-15(16)18/h3-10,14H,11H2,1-2H3.
What are the key properties of methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate?
methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate has a molecular weight of 304.77 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate is sourced from PubChem (CID 117243342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).