methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate

C13H18O3 — CID 116963053

IUPACmethyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H18O3/c1-9-8-10(6-7-11(9)15-4)13(2,3)12(14)16-5/h6-8H,1-5H3
InChIKeyHPFUIGFMVUEZAN-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.45
Rot. Bonds3

About methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate

methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate (PubChem CID 116963053) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
PubChem CID116963053
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namemethyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H18O3/c1-9-8-10(6-7-11(9)15-4)13(2,3)12(14)16-5/h6-8H,1-5H3
InChIKeyHPFUIGFMVUEZAN-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-iodo-3-methoxyphenyl)-2-methylpropanoate
CID 162427239
methoxy-[2-methoxy-5-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-oxoazanium
CID 123974407
methyl 2-(3-amino-4-methylphenyl)-2-methylpropanoate
CID 23125474
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
methyl (3R)-3-amino-3-(4-methoxy-3-methylphenyl)-2,2-dimethylpropanoate
CID 171244192
methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405
methyl 2-methyl-2-(4-sulfanylphenyl)propanoate
CID 69138846
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 15324535

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate (CID 116963053) is methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate is COC(=O)C(C)(C)c1ccc(OC)c(C)c1.
What is the InChIKey of methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate?
The InChIKey is HPFUIGFMVUEZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-8-10(6-7-11(9)15-4)13(2,3)12(14)16-5/h6-8H,1-5H3.
What are the key properties of methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate?
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate has a molecular weight of 222.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate is sourced from PubChem (CID 116963053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).