methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate

C14H20O5 — CID 62393818

IUPACmethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20O5/c1-9(13(15)19-5)14(2,16)11-7-6-10(17-3)8-12(11)18-4/h6-9,16H,1-5H3
InChIKeyXPHJOTATMFPMAL-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.72
Rot. Bonds5

About methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate

methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate (PubChem CID 62393818) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate
PubChem CID62393818
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namemethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20O5/c1-9(13(15)19-5)14(2,16)11-7-6-10(17-3)8-12(11)18-4/h6-9,16H,1-5H3
InChIKeyXPHJOTATMFPMAL-UHFFFAOYSA-N
XLogP1.72
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395777
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83042755
methyl 3-amino-3-(2,4-dimethoxyphenyl)butanoate
CID 79849072
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541892
ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
CID 66322325
3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397828

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate?
The IUPAC name of methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate (CID 62393818) is methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate?
The canonical SMILES for methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate is COC(=O)C(C)C(C)(O)c1ccc(OC)cc1OC.
What is the InChIKey of methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate?
The InChIKey is XPHJOTATMFPMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-9(13(15)19-5)14(2,16)11-7-6-10(17-3)8-12(11)18-4/h6-9,16H,1-5H3.
What are the key properties of methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate?
methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate has a molecular weight of 268.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 62393818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).