methyl 3-(4-chlorophenoxy)-2-methylpropanoate

C11H13ClO3 — CID 43537622

IUPACmethyl 3-(4-chlorophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO3/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyXCDVXLYWXZGQMN-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.53
Rot. Bonds4

About methyl 3-(4-chlorophenoxy)-2-methylpropanoate

methyl 3-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 43537622) has the molecular formula C11H13ClO3 and a molecular weight of 228.68 g/mol. Its IUPAC name is methyl 3-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID43537622
Molecular FormulaC11H13ClO3
Molecular Weight228.68 g/mol
Exact Mass228.06
IUPAC Namemethyl 3-(4-chlorophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO3/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyXCDVXLYWXZGQMN-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
CID 43402742
methyl 3-(4-iodophenoxy)-2-methylpropanoate
CID 43538009
methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
CID 99737689
(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
CID 10353214
methyl 2-methyl-3-(4-propanoylphenoxy)propanoate
CID 43537743
methyl 4-[4-(4-chlorobenzoyl)phenoxy]-2,3-dimethylbutanoate
CID 146594268
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
3-[4-(4-chlorophenyl)sulfonylphenoxy]-2-methylpropanoic acid
CID 54514935
methyl 4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-2,3-dimethylbutanoate
CID 146594284
methyl 2-[3-(4-chlorophenoxy)propylamino]-4-methylpentanoate
CID 60694605
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of methyl 3-(4-chlorophenoxy)-2-methylpropanoate (CID 43537622) is methyl 3-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for methyl 3-(4-chlorophenoxy)-2-methylpropanoate is COC(=O)C(C)COc1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is XCDVXLYWXZGQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 3-(4-chlorophenoxy)-2-methylpropanoate?
methyl 3-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 228.68 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 43537622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).