methyl 2-chloro-2-phenoxypropanoate

C10H11ClO3 — CID 21294963

IUPACmethyl 2-chloro-2-phenoxypropanoate
SMILESCOC(=O)C(C)(Cl)Oc1ccccc1
InChIInChI=1S/C10H11ClO3/c1-10(11,9(12)13-2)14-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyCRVXVKIBLVOWPY-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.19
Rot. Bonds3

About methyl 2-chloro-2-phenoxypropanoate

methyl 2-chloro-2-phenoxypropanoate (PubChem CID 21294963) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 2-chloro-2-phenoxypropanoate.

Molecular Properties

Compound Namemethyl 2-chloro-2-phenoxypropanoate
PubChem CID21294963
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namemethyl 2-chloro-2-phenoxypropanoate
SMILESCOC(=O)C(C)(Cl)Oc1ccccc1
InChIInChI=1S/C10H11ClO3/c1-10(11,9(12)13-2)14-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyCRVXVKIBLVOWPY-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.19
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

ethenyl 2-chloro-2-phenoxypropanoate
CID 139826819
methyl 2-hydroxy-2-phenoxypropanoate
CID 67592988
1-chloro-1-phenoxyethanol
CID 66681023
methyl 3-[1-(1-chloro-1,2,2-trifluoro-2-phenoxyethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2,3,3-tetrafluoropropanoate
CID 10460231
methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate
CID 15766824
4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
CID 142080279
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
methyl 2-methyl-2-phenyltellanylpropanoate
CID 132919222
2,2-dibromo-2-phenoxyacetic acid
CID 154192322
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-phenoxypropanoate?
The IUPAC name of methyl 2-chloro-2-phenoxypropanoate (CID 21294963) is methyl 2-chloro-2-phenoxypropanoate.
What is the SMILES notation for methyl 2-chloro-2-phenoxypropanoate?
The canonical SMILES for methyl 2-chloro-2-phenoxypropanoate is COC(=O)C(C)(Cl)Oc1ccccc1.
What is the InChIKey of methyl 2-chloro-2-phenoxypropanoate?
The InChIKey is CRVXVKIBLVOWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-10(11,9(12)13-2)14-8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of methyl 2-chloro-2-phenoxypropanoate?
methyl 2-chloro-2-phenoxypropanoate has a molecular weight of 214.65 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-phenoxypropanoate is sourced from PubChem (CID 21294963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).