methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate

C11H13ClO3 — CID 71075712

IUPACmethyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cccc(C)c1Cl
InChIInChI=1S/C11H13ClO3/c1-7-5-4-6-9(10(7)12)15-8(2)11(13)14-3/h4-6,8H,1-3H3/t8-/m0/s1
InChIKeyHJBTUFBOHRVZPR-QMMMGPOBSA-N
MW228.67 g/mol
LogP2.59
Rot. Bonds3

About methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate

methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate (PubChem CID 71075712) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate
PubChem CID71075712
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Namemethyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cccc(C)c1Cl
InChIInChI=1S/C11H13ClO3/c1-7-5-4-6-9(10(7)12)15-8(2)11(13)14-3/h4-6,8H,1-3H3/t8-/m0/s1
InChIKeyHJBTUFBOHRVZPR-QMMMGPOBSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloro-2-cyanophenoxy)propanoate
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(2R)-2-(2,3-dichlorophenoxy)propanamide
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methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
methyl 2-(2-acetamidophenoxy)propanoate
CID 54941686
methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate
CID 63367072
methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate
CID 114319806
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
CID 103338014
methyl 2-(4-chloro-2,3,5-trideuterio-6-methylphenoxy)propanoate
CID 129318200

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate?
The IUPAC name of methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate (CID 71075712) is methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate.
What is the SMILES notation for methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate?
The canonical SMILES for methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate is COC(=O)[C@H](C)Oc1cccc(C)c1Cl.
What is the InChIKey of methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate?
The InChIKey is HJBTUFBOHRVZPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-7-5-4-6-9(10(7)12)15-8(2)11(13)14-3/h4-6,8H,1-3H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate?
methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate has a molecular weight of 228.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate is sourced from PubChem (CID 71075712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).