methyl 3-acetyloxy-2,3-diphenylpropanoate

C18H18O4 — CID 23262242

IUPACmethyl 3-acetyloxy-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C18H18O4/c1-13(19)22-17(15-11-7-4-8-12-15)16(18(20)21-2)14-9-5-3-6-10-14/h3-12,16-17H,1-2H3
InChIKeyGHIUNQWQGMOUGT-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.25
Rot. Bonds5

About methyl 3-acetyloxy-2,3-diphenylpropanoate

methyl 3-acetyloxy-2,3-diphenylpropanoate (PubChem CID 23262242) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 3-acetyloxy-2,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-acetyloxy-2,3-diphenylpropanoate
PubChem CID23262242
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namemethyl 3-acetyloxy-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C18H18O4/c1-13(19)22-17(15-11-7-4-8-12-15)16(18(20)21-2)14-9-5-3-6-10-14/h3-12,16-17H,1-2H3
InChIKeyGHIUNQWQGMOUGT-UHFFFAOYSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 134922175
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
(2-methyl-3-oxo-1-phenylpropyl) acetate
CID 122223707
methyl 3-methyl-4-oxo-2-phenylpentanoate
CID 101419627
ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate
CID 139713811
(1-acetyloxy-1-phenylpropan-2-yl)-trimethylazanium
CID 24833445
(2-bromo-1,2-diphenylethyl) acetate
CID 13129278
methyl 3-iodo-2,3-diphenylpropanoate
CID 10451510
methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
methyl (2R,3S)-2-acetyloxy-3-amino-3-phenylpropanoate
CID 66701707
ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
CID 139713807
(2-dimethoxyphosphoryl-1-phenylpropyl) acetate
CID 122399816

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyloxy-2,3-diphenylpropanoate?
The IUPAC name of methyl 3-acetyloxy-2,3-diphenylpropanoate (CID 23262242) is methyl 3-acetyloxy-2,3-diphenylpropanoate.
What is the SMILES notation for methyl 3-acetyloxy-2,3-diphenylpropanoate?
The canonical SMILES for methyl 3-acetyloxy-2,3-diphenylpropanoate is COC(=O)C(c1ccccc1)C(OC(C)=O)c1ccccc1.
What is the InChIKey of methyl 3-acetyloxy-2,3-diphenylpropanoate?
The InChIKey is GHIUNQWQGMOUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(19)22-17(15-11-7-4-8-12-15)16(18(20)21-2)14-9-5-3-6-10-14/h3-12,16-17H,1-2H3.
What are the key properties of methyl 3-acetyloxy-2,3-diphenylpropanoate?
methyl 3-acetyloxy-2,3-diphenylpropanoate has a molecular weight of 298.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyloxy-2,3-diphenylpropanoate is sourced from PubChem (CID 23262242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).