methyl 2-hydroxy-2-phenoxypropanoate

C10H12O4 — CID 67592988

IUPACmethyl 2-hydroxy-2-phenoxypropanoate
SMILESCOC(=O)C(C)(O)Oc1ccccc1
InChIInChI=1S/C10H12O4/c1-10(12,9(11)13-2)14-8-6-4-3-5-7-8/h3-7,12H,1-2H3
InChIKeyQCRNRMFLUDDTDA-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.95
Rot. Bonds3

About methyl 2-hydroxy-2-phenoxypropanoate

methyl 2-hydroxy-2-phenoxypropanoate (PubChem CID 67592988) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is methyl 2-hydroxy-2-phenoxypropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-phenoxypropanoate
PubChem CID67592988
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namemethyl 2-hydroxy-2-phenoxypropanoate
SMILESCOC(=O)C(C)(O)Oc1ccccc1
InChIInChI=1S/C10H12O4/c1-10(12,9(11)13-2)14-8-6-4-3-5-7-8/h3-7,12H,1-2H3
InChIKeyQCRNRMFLUDDTDA-UHFFFAOYSA-N
XLogP0.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-2-phenoxypropanoate
CID 21294963
1-chloro-1-phenoxyethanol
CID 66681023
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
2-amino-N-ethyl-2-phenoxypropanamide
CID 174406190
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,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylbutanoate
CID 23234237
methyl (2S,3S)-2,3-dihydroxy-2-methyl-3-phenylpropanoate
CID 13435156
methyl 2-hydroxy-4,4-dimethyl-3-oxo-2-phenylpentanoate
CID 24976781
methyl 2-methyl-2-phenyltellanylpropanoate
CID 132919222
2,2-dibromo-2-phenoxyacetic acid
CID 154192322

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-phenoxypropanoate?
The IUPAC name of methyl 2-hydroxy-2-phenoxypropanoate (CID 67592988) is methyl 2-hydroxy-2-phenoxypropanoate.
What is the SMILES notation for methyl 2-hydroxy-2-phenoxypropanoate?
The canonical SMILES for methyl 2-hydroxy-2-phenoxypropanoate is COC(=O)C(C)(O)Oc1ccccc1.
What is the InChIKey of methyl 2-hydroxy-2-phenoxypropanoate?
The InChIKey is QCRNRMFLUDDTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-10(12,9(11)13-2)14-8-6-4-3-5-7-8/h3-7,12H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-phenoxypropanoate?
methyl 2-hydroxy-2-phenoxypropanoate has a molecular weight of 196.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-phenoxypropanoate is sourced from PubChem (CID 67592988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).