methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate

C12H16O4 — CID 117321838

IUPACmethyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
SMILESCOC(=O)C(O)c1ccc(C(C)OC)cc1
InChIInChI=1S/C12H16O4/c1-8(15-2)9-4-6-10(7-5-9)11(13)12(14)16-3/h4-8,11,13H,1-3H3
InChIKeyHWXHXIFMPXKSGR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.60
Rot. Bonds4

About methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate

methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate (PubChem CID 117321838) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
PubChem CID117321838
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
SMILESCOC(=O)C(O)c1ccc(C(C)OC)cc1
InChIInChI=1S/C12H16O4/c1-8(15-2)9-4-6-10(7-5-9)11(13)12(14)16-3/h4-8,11,13H,1-3H3
InChIKeyHWXHXIFMPXKSGR-UHFFFAOYSA-N
XLogP1.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
potassium trifluoro-[4-(1-hydroxy-2-methoxy-2-oxoethyl)phenyl]boranuide
CID 167730412
(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate
CID 161223884
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
methyl 2-hydroxy-2-(4-methyl-3-methylsulfonylphenyl)acetate
CID 117399307
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
2-amino-1-[4-(1-methoxyethyl)phenyl]ethanol
CID 117285517
methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate
CID 67575819
(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid;methyl 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetate
CID 160817658
methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate
CID 117381834

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate (CID 117321838) is methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate is COC(=O)C(O)c1ccc(C(C)OC)cc1.
What is the InChIKey of methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate?
The InChIKey is HWXHXIFMPXKSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(15-2)9-4-6-10(7-5-9)11(13)12(14)16-3/h4-8,11,13H,1-3H3.
What are the key properties of methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate?
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate has a molecular weight of 224.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate is sourced from PubChem (CID 117321838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).