(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate

C19H20O3 — CID 955183

IUPAC(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
SMILESCC(C)(C)C(=O)COC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H20O3/c1-19(2,3)17(20)13-22-18(21)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyHFXRNMPAFCJEEW-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.13
Rot. Bonds4

About (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate

(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate (PubChem CID 955183) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
PubChem CID955183
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
SMILESCC(C)(C)C(=O)COC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H20O3/c1-19(2,3)17(20)13-22-18(21)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyHFXRNMPAFCJEEW-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate
CID 23024567
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
(3,3-dimethyl-2-oxobutyl) 1-hydroxynaphthalene-2-carboxylate
CID 958586
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate
CID 7229156
(3,3-dimethyl-2-oxobutyl) 2-pyridin-3-ylquinoline-4-carboxylate
CID 2401604
(3,3-dimethyl-2-oxobutyl) 2-(2-anilino-2-oxoethyl)sulfanylbenzoate
CID 17497401
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
CID 7554635
(3,3-dimethyl-2-oxobutyl) 2-(propan-2-ylcarbamoylamino)benzoate
CID 17470932
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate?
The IUPAC name of (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate (CID 955183) is (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate is CC(C)(C)C(=O)COC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate?
The InChIKey is HFXRNMPAFCJEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-19(2,3)17(20)13-22-18(21)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate?
(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate has a molecular weight of 296.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate is sourced from PubChem (CID 955183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).