methyl 2-methyl-3-phenylpropanoate

C11H14O2 — CID 11105919

IUPACmethyl 2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C11H14O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyZQDZXEFWUCNPMG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.04
Rot. Bonds3

About methyl 2-methyl-3-phenylpropanoate

methyl 2-methyl-3-phenylpropanoate (PubChem CID 11105919) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is methyl 2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-phenylpropanoate
PubChem CID11105919
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Namemethyl 2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C11H14O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyZQDZXEFWUCNPMG-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
methyl 2-benzyl-4-methyl-5-oxohexanoate
CID 163944835
methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate
CID 89491354

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-phenylpropanoate?
The IUPAC name of methyl 2-methyl-3-phenylpropanoate (CID 11105919) is methyl 2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl 2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl 2-methyl-3-phenylpropanoate is COC(=O)C(C)Cc1ccccc1.
What is the InChIKey of methyl 2-methyl-3-phenylpropanoate?
The InChIKey is ZQDZXEFWUCNPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of methyl 2-methyl-3-phenylpropanoate?
methyl 2-methyl-3-phenylpropanoate has a molecular weight of 178.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-phenylpropanoate is sourced from PubChem (CID 11105919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).