(3-oxo-2-phenylbutan-2-yl) benzoate

C17H16O3 — CID 102265108

IUPAC(3-oxo-2-phenylbutan-2-yl) benzoate
SMILESCC(=O)C(C)(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O3/c1-13(18)17(2,15-11-7-4-8-12-15)20-16(19)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKeyMDGZNIRLJLTMQA-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.35
Rot. Bonds4

About (3-oxo-2-phenylbutan-2-yl) benzoate

(3-oxo-2-phenylbutan-2-yl) benzoate (PubChem CID 102265108) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3-oxo-2-phenylbutan-2-yl) benzoate.

Molecular Properties

Compound Name(3-oxo-2-phenylbutan-2-yl) benzoate
PubChem CID102265108
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(3-oxo-2-phenylbutan-2-yl) benzoate
SMILESCC(=O)C(C)(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O3/c1-13(18)17(2,15-11-7-4-8-12-15)20-16(19)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKeyMDGZNIRLJLTMQA-UHFFFAOYSA-N
XLogP3.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-oxo-2-phenylbutan-2-yl) 2-bromobenzoate
CID 102521738
CID 162139404
CID 162139404
(1-ethoxy-1-oxo-2-phenylpropan-2-yl) 4-propylbenzoate
CID 175353195
[3-benzylimino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutan-2-yl] benzoate
CID 138969377
(1-cyano-1-hydroxy-2-phenylpropan-2-yl) benzoate
CID 132966637
2-phenylpropan-2-yl 4-benzamidobenzoate
CID 58709253
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
benzoyl 3-tert-butylbenzoate
CID 174291385
(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
(2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174533693
[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] benzoate
CID 22959507

Frequently Asked Questions

What is the IUPAC name of (3-oxo-2-phenylbutan-2-yl) benzoate?
The IUPAC name of (3-oxo-2-phenylbutan-2-yl) benzoate (CID 102265108) is (3-oxo-2-phenylbutan-2-yl) benzoate.
What is the SMILES notation for (3-oxo-2-phenylbutan-2-yl) benzoate?
The canonical SMILES for (3-oxo-2-phenylbutan-2-yl) benzoate is CC(=O)C(C)(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3-oxo-2-phenylbutan-2-yl) benzoate?
The InChIKey is MDGZNIRLJLTMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-13(18)17(2,15-11-7-4-8-12-15)20-16(19)14-9-5-3-6-10-14/h3-12H,1-2H3.
What are the key properties of (3-oxo-2-phenylbutan-2-yl) benzoate?
(3-oxo-2-phenylbutan-2-yl) benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-2-phenylbutan-2-yl) benzoate is sourced from PubChem (CID 102265108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).