2-methylpropyl 2-(2-methylpropanoyl)benzoate

C15H20O3 — CID 142743653

IUPAC2-methylpropyl 2-(2-methylpropanoyl)benzoate
SMILESCC(C)COC(=O)c1ccccc1C(=O)C(C)C
InChIInChI=1S/C15H20O3/c1-10(2)9-18-15(17)13-8-6-5-7-12(13)14(16)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyIACYNXDADLSARC-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.34
Rot. Bonds5

About 2-methylpropyl 2-(2-methylpropanoyl)benzoate

2-methylpropyl 2-(2-methylpropanoyl)benzoate (PubChem CID 142743653) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-methylpropanoyl)benzoate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-methylpropanoyl)benzoate
PubChem CID142743653
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-methylpropyl 2-(2-methylpropanoyl)benzoate
SMILESCC(C)COC(=O)c1ccccc1C(=O)C(C)C
InChIInChI=1S/C15H20O3/c1-10(2)9-18-15(17)13-8-6-5-7-12(13)14(16)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyIACYNXDADLSARC-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
2-methylpropyl 2-benzoylbenzoate
CID 142743650
1-O-[2-(2-fluorophenyl)ethyl] 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91711567
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
CID 104548518
2-methylpropyl 2-(2-methylpropylamino)benzoate
CID 19428899
2-O-(3,5-dimethylphenyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 6423485
2-O-(4-bromophenyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 6423523
2-methylpropyl 2-(2-methylpropoxysulfonyl)benzoate
CID 90417764
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186357
2-methylpropyl 2-bromo-3-methylbenzoate
CID 171989965
bis(2-methylpropyl) 3-fluorobenzene-1,2-dicarboxylate
CID 23502306

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-methylpropanoyl)benzoate?
The IUPAC name of 2-methylpropyl 2-(2-methylpropanoyl)benzoate (CID 142743653) is 2-methylpropyl 2-(2-methylpropanoyl)benzoate.
What is the SMILES notation for 2-methylpropyl 2-(2-methylpropanoyl)benzoate?
The canonical SMILES for 2-methylpropyl 2-(2-methylpropanoyl)benzoate is CC(C)COC(=O)c1ccccc1C(=O)C(C)C.
What is the InChIKey of 2-methylpropyl 2-(2-methylpropanoyl)benzoate?
The InChIKey is IACYNXDADLSARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(2)9-18-15(17)13-8-6-5-7-12(13)14(16)11(3)4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 2-methylpropyl 2-(2-methylpropanoyl)benzoate?
2-methylpropyl 2-(2-methylpropanoyl)benzoate has a molecular weight of 248.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-methylpropanoyl)benzoate is sourced from PubChem (CID 142743653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).