methyl 3-methoxy-2-(3-methylphenyl)propanoate

C12H16O3 — CID 117243517

IUPACmethyl 3-methoxy-2-(3-methylphenyl)propanoate
SMILESCOCC(C(=O)OC)c1cccc(C)c1
InChIInChI=1S/C12H16O3/c1-9-5-4-6-10(7-9)11(8-14-2)12(13)15-3/h4-7,11H,8H2,1-3H3
InChIKeyBRSQWHDYVMYLDN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.90
Rot. Bonds4

About methyl 3-methoxy-2-(3-methylphenyl)propanoate

methyl 3-methoxy-2-(3-methylphenyl)propanoate (PubChem CID 117243517) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-methoxy-2-(3-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-(3-methylphenyl)propanoate
PubChem CID117243517
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 3-methoxy-2-(3-methylphenyl)propanoate
SMILESCOCC(C(=O)OC)c1cccc(C)c1
InChIInChI=1S/C12H16O3/c1-9-5-4-6-10(7-9)11(8-14-2)12(13)15-3/h4-7,11H,8H2,1-3H3
InChIKeyBRSQWHDYVMYLDN-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532
methyl 3-(methylamino)-2-(3-methylphenyl)propanoate
CID 117243238
methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
CID 117243342
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693
methyl 2-[1-(3-methylphenyl)ethylamino]propanoate
CID 60781961
methyl 2-[amino-(3-methylphenyl)methyl]-3-methylbutanoate
CID 116946100
(2R)-4-methoxy-2-(3-methylphenyl)-4-oxobutanoic acid
CID 159328207
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
methyl 2-(4-bromophenyl)-3-methoxypropanoate
CID 117245340

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-(3-methylphenyl)propanoate?
The IUPAC name of methyl 3-methoxy-2-(3-methylphenyl)propanoate (CID 117243517) is methyl 3-methoxy-2-(3-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-methoxy-2-(3-methylphenyl)propanoate?
The canonical SMILES for methyl 3-methoxy-2-(3-methylphenyl)propanoate is COCC(C(=O)OC)c1cccc(C)c1.
What is the InChIKey of methyl 3-methoxy-2-(3-methylphenyl)propanoate?
The InChIKey is BRSQWHDYVMYLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-5-4-6-10(7-9)11(8-14-2)12(13)15-3/h4-7,11H,8H2,1-3H3.
What are the key properties of methyl 3-methoxy-2-(3-methylphenyl)propanoate?
methyl 3-methoxy-2-(3-methylphenyl)propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-(3-methylphenyl)propanoate is sourced from PubChem (CID 117243517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).