methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate

C12H16O5 — CID 117353034

IUPACmethyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(C)c(OC)c1OC
InChIInChI=1S/C12H16O5/c1-7-5-6-8(9(13)12(14)17-4)11(16-3)10(7)15-2/h5-6,9,13H,1-4H3
InChIKeyPSENXALXHFOWEX-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate

methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate (PubChem CID 117353034) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
PubChem CID117353034
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namemethyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(C)c(OC)c1OC
InChIInChI=1S/C12H16O5/c1-7-5-6-8(9(13)12(14)17-4)11(16-3)10(7)15-2/h5-6,9,13H,1-4H3
InChIKeyPSENXALXHFOWEX-UHFFFAOYSA-N
XLogP1.22
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
CID 117300134
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117357394
methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate
CID 117375650
methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate
CID 130900213
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117417057
methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate
CID 117378480
ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate
CID 10912844
methyl 2-hydroxy-2-(7-methoxy-1-benzothiophen-4-yl)acetate
CID 117383636
methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate
CID 102595202

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate (CID 117353034) is methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1ccc(C)c(OC)c1OC.
What is the InChIKey of methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate?
The InChIKey is PSENXALXHFOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-7-5-6-8(9(13)12(14)17-4)11(16-3)10(7)15-2/h5-6,9,13H,1-4H3.
What are the key properties of methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate?
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate has a molecular weight of 240.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117353034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).