(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate

C20H22O4 — CID 135011938

IUPAC(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
SMILESCC(=O)OC(C)(c1ccccc1)C(C)(OC(C)=O)c1ccccc1
InChIInChI=1S/C20H22O4/c1-15(21)23-19(3,17-11-7-5-8-12-17)20(4,24-16(2)22)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKeyDCYHICQKOPOVQM-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.94
Rot. Bonds5

About (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate

(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate (PubChem CID 135011938) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
PubChem CID135011938
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
SMILESCC(=O)OC(C)(c1ccccc1)C(C)(OC(C)=O)c1ccccc1
InChIInChI=1S/C20H22O4/c1-15(21)23-19(3,17-11-7-5-8-12-17)20(4,24-16(2)22)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKeyDCYHICQKOPOVQM-UHFFFAOYSA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate 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

(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
[3-acetyloxy-2,3-bis(3-methylphenyl)butan-2-yl] acetate
CID 139891616
tert-butyl acetate;trifluoromethylbenzene
CID 135377327
2-phenylpent-4-en-2-yl acetate
CID 15164764
[(1S)-1-cyano-1-phenylethyl] acetate
CID 13433573
[acetyloxy(diphenyl)methyl]-oxosulfanium
CID 174491893
3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
(3-fluoro-2-phenylbut-3-en-2-yl) acetate
CID 10910741
[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
CID 134546197
benzoic acid;tert-butyl acetate
CID 143820890
(3-methoxy-2-methyl-3-phenylbutan-2-yl) hydrogen carbonate
CID 90300640

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate?
The IUPAC name of (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate (CID 135011938) is (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate.
What is the SMILES notation for (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate?
The canonical SMILES for (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate is CC(=O)OC(C)(c1ccccc1)C(C)(OC(C)=O)c1ccccc1.
What is the InChIKey of (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate?
The InChIKey is DCYHICQKOPOVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-15(21)23-19(3,17-11-7-5-8-12-17)20(4,24-16(2)22)18-13-9-6-10-14-18/h5-14H,1-4H3.
What are the key properties of (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate?
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate has a molecular weight of 326.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2,3-diphenylbutan-2-yl) acetate is sourced from PubChem (CID 135011938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).