methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate

C19H20O3 — CID 175175278

IUPACmethyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)C(C)(C)c2cccc(C)c2)cc1
InChIInChI=1S/C19H20O3/c1-13-6-5-7-16(12-13)19(2,3)17(20)14-8-10-15(11-9-14)18(21)22-4/h5-12H,1-4H3
InChIKeyLTMYDTJDAHHSAC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.94
Rot. Bonds4

About methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate

methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate (PubChem CID 175175278) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate
PubChem CID175175278
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namemethyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)C(C)(C)c2cccc(C)c2)cc1
InChIInChI=1S/C19H20O3/c1-13-6-5-7-16(12-13)19(2,3)17(20)14-8-10-15(11-9-14)18(21)22-4/h5-12H,1-4H3
InChIKeyLTMYDTJDAHHSAC-UHFFFAOYSA-N
XLogP3.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methyl-2-phenylpropanoyl)benzoate
CID 101188691
methyl 4-hydroxybenzoate;3-methylphenol
CID 174792609
methyl (2R)-2-hydroxy-2-(3-methylphenyl)propanoate
CID 56926601
methyl 2,2-dimethoxy-2-(3-methylphenyl)acetate
CID 59382405
methyl 2-bromo-2-(3-methylphenyl)propanoate
CID 146186295
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
methyl 4-[[2,2-dimethyl-3-[(3-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108961919
methyl 4-[[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 108996975
3-(1-methoxy-2-methyl-1-oxopropan-2-yl)benzoic acid
CID 116989106

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate?
The IUPAC name of methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate (CID 175175278) is methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate.
What is the SMILES notation for methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate?
The canonical SMILES for methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate is COC(=O)c1ccc(C(=O)C(C)(C)c2cccc(C)c2)cc1.
What is the InChIKey of methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate?
The InChIKey is LTMYDTJDAHHSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-13-6-5-7-16(12-13)19(2,3)17(20)14-8-10-15(11-9-14)18(21)22-4/h5-12H,1-4H3.
What are the key properties of methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate?
methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate has a molecular weight of 296.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate is sourced from PubChem (CID 175175278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).