methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate

C13H18O5 — CID 55071502

IUPACmethyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)C(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H18O5/c1-8(13(15)18-4)12(14)9-5-10(16-2)7-11(6-9)17-3/h5-8,12,14H,1-4H3
InChIKeyAKLOYTKVDSYLGE-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.55
Rot. Bonds5

About methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate

methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate (PubChem CID 55071502) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
PubChem CID55071502
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namemethyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)C(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H18O5/c1-8(13(15)18-4)12(14)9-5-10(16-2)7-11(6-9)17-3/h5-8,12,14H,1-4H3
InChIKeyAKLOYTKVDSYLGE-UHFFFAOYSA-N
XLogP1.55
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171864351
methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
CID 94376627
methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
CID 117349068
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477
methyl (2R,3S)-3-(3,5-dimethoxyphenyl)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 177484692
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 58785891
methyl 3-[3-(difluoromethyl)phenyl]-3-hydroxy-2-methylpropanoate
CID 115528620
methyl 2-cyano-2-(3,5-dimethoxyphenyl)acetate
CID 121013498
methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
CID 61024922
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
methyl 3-(3-chloro-4-hydroxyphenyl)-3-hydroxy-2-methylpropanoate
CID 62394188

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate (CID 55071502) is methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate is COC(=O)C(C)C(O)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate?
The InChIKey is AKLOYTKVDSYLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-8(13(15)18-4)12(14)9-5-10(16-2)7-11(6-9)17-3/h5-8,12,14H,1-4H3.
What are the key properties of methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate?
methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate has a molecular weight of 254.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 55071502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).