methyl 3-(2-methyl-2-phenylpropanoyl)benzoate

C18H18O3 — CID 101188691

IUPACmethyl 3-(2-methyl-2-phenylpropanoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C18H18O3/c1-18(2,15-10-5-4-6-11-15)16(19)13-8-7-9-14(12-13)17(20)21-3/h4-12H,1-3H3
InChIKeyPUOXUXGAMHJMIZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.63
Rot. Bonds4

About methyl 3-(2-methyl-2-phenylpropanoyl)benzoate

methyl 3-(2-methyl-2-phenylpropanoyl)benzoate (PubChem CID 101188691) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 3-(2-methyl-2-phenylpropanoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-methyl-2-phenylpropanoyl)benzoate
PubChem CID101188691
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Namemethyl 3-(2-methyl-2-phenylpropanoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C18H18O3/c1-18(2,15-10-5-4-6-11-15)16(19)13-8-7-9-14(12-13)17(20)21-3/h4-12H,1-3H3
InChIKeyPUOXUXGAMHJMIZ-UHFFFAOYSA-N
XLogP3.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(2-methyl-2-phenylpropanoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate
CID 175175278
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
methyl 3-(2,2,3,3,3-pentafluoropropanoyl)benzoate
CID 146011015
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503
methyl 3-(benzamidocarbamoyl)benzoate
CID 17175438
4-(3-methoxycarbonylbenzoyl)oxycarbonylbenzoic acid
CID 175290504
methyl 3-acetylbenzoate
CID 15094405
dimethyl benzene-1,3-dicarboxylate;2-methylprop-2-enoic acid
CID 175103559
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methyl-2-phenylpropanoyl)benzoate?
The IUPAC name of methyl 3-(2-methyl-2-phenylpropanoyl)benzoate (CID 101188691) is methyl 3-(2-methyl-2-phenylpropanoyl)benzoate.
What is the SMILES notation for methyl 3-(2-methyl-2-phenylpropanoyl)benzoate?
The canonical SMILES for methyl 3-(2-methyl-2-phenylpropanoyl)benzoate is COC(=O)c1cccc(C(=O)C(C)(C)c2ccccc2)c1.
What is the InChIKey of methyl 3-(2-methyl-2-phenylpropanoyl)benzoate?
The InChIKey is PUOXUXGAMHJMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-18(2,15-10-5-4-6-11-15)16(19)13-8-7-9-14(12-13)17(20)21-3/h4-12H,1-3H3.
What are the key properties of methyl 3-(2-methyl-2-phenylpropanoyl)benzoate?
methyl 3-(2-methyl-2-phenylpropanoyl)benzoate has a molecular weight of 282.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methyl-2-phenylpropanoyl)benzoate is sourced from PubChem (CID 101188691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).