2-methylpropyl 2-benzoylbenzoate

C18H18O3 — CID 142743650

IUPAC2-methylpropyl 2-benzoylbenzoate
SMILESCC(C)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C18H18O3/c1-13(2)12-21-18(20)16-11-7-6-10-15(16)17(19)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyPVZWOKVZXHOQAJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.73
Rot. Bonds5

About 2-methylpropyl 2-benzoylbenzoate

2-methylpropyl 2-benzoylbenzoate (PubChem CID 142743650) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methylpropyl 2-benzoylbenzoate.

Molecular Properties

Compound Name2-methylpropyl 2-benzoylbenzoate
PubChem CID142743650
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-methylpropyl 2-benzoylbenzoate
SMILESCC(C)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C18H18O3/c1-13(2)12-21-18(20)16-11-7-6-10-15(16)17(19)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyPVZWOKVZXHOQAJ-UHFFFAOYSA-N
XLogP3.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-2-iodoethyl) 2-benzoylbenzoate
CID 152866313
amino 2-benzoylbenzoate
CID 19737509
2-hydroxyhexyl 2-benzoylbenzoate
CID 155068883
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
[2-hydroxy-3-(2-methylprop-2-enoxy)propyl] 2-benzoylbenzoate
CID 91122512
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
CID 104548518
2-(2-acetyloxypropoxycarbonyl)benzoic acid
CID 139316489
2-methylpropyl 2-(2-methylpropylamino)benzoate
CID 19428899

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-benzoylbenzoate?
The IUPAC name of 2-methylpropyl 2-benzoylbenzoate (CID 142743650) is 2-methylpropyl 2-benzoylbenzoate.
What is the SMILES notation for 2-methylpropyl 2-benzoylbenzoate?
The canonical SMILES for 2-methylpropyl 2-benzoylbenzoate is CC(C)COC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-methylpropyl 2-benzoylbenzoate?
The InChIKey is PVZWOKVZXHOQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-13(2)12-21-18(20)16-11-7-6-10-15(16)17(19)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-methylpropyl 2-benzoylbenzoate?
2-methylpropyl 2-benzoylbenzoate has a molecular weight of 282.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-benzoylbenzoate is sourced from PubChem (CID 142743650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).