methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate

C12H16O3 — CID 117297734

IUPACmethyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(C)c(C)c(C)c1
InChIInChI=1S/C12H16O3/c1-7-5-10(6-8(2)9(7)3)11(13)12(14)15-4/h5-6,11,13H,1-4H3
InChIKeyVQMMAZGBZAEZKE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds2

About methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate

methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate (PubChem CID 117297734) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
PubChem CID117297734
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(C)c(C)c(C)c1
InChIInChI=1S/C12H16O3/c1-7-5-10(6-8(2)9(7)3)11(13)12(14)15-4/h5-6,11,13H,1-4H3
InChIKeyVQMMAZGBZAEZKE-UHFFFAOYSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3,4-dihydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117302652
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117333182
methyl 2-(3-fluoro-4-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117328416
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693
methyl 3-fluoro-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 117393527
methyl 2-hydroxy-2-(4-methyl-3-methylsulfonylphenyl)acetate
CID 117399307
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate
CID 117321841
methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
CID 117349068
methyl 2-hydroxy-2-(6-methylnaphthalen-2-yl)acetate
CID 70589990

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate (CID 117297734) is methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate is COC(=O)C(O)c1cc(C)c(C)c(C)c1.
What is the InChIKey of methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate?
The InChIKey is VQMMAZGBZAEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-7-5-10(6-8(2)9(7)3)11(13)12(14)15-4/h5-6,11,13H,1-4H3.
What are the key properties of methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate?
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate has a molecular weight of 208.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate is sourced from PubChem (CID 117297734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).