[2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate

C20H18Cl2O4 — CID 102045286

IUPAC[2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate
SMILESCC(=O)OCC(COC(C)=O)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2O4/c1-13(23)25-11-17(12-26-14(2)24)20(15-3-7-18(21)8-4-15)16-5-9-19(22)10-6-16/h3-10H,11-12H2,1-2H3
InChIKeyZVTDRBBRIIMSHJ-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.92
Rot. Bonds6

About [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate

[2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate (PubChem CID 102045286) has the molecular formula C20H18Cl2O4 and a molecular weight of 393.27 g/mol. Its IUPAC name is [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate
PubChem CID102045286
Molecular FormulaC20H18Cl2O4
Molecular Weight393.27 g/mol
Exact Mass392.06
IUPAC Name[2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate
SMILESCC(=O)OCC(COC(C)=O)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2O4/c1-13(23)25-11-17(12-26-14(2)24)20(15-3-7-18(21)8-4-15)16-5-9-19(22)10-6-16/h3-10H,11-12H2,1-2H3
InChIKeyZVTDRBBRIIMSHJ-UHFFFAOYSA-N
XLogP4.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
CID 134104348
2-methylprop-2-enyl 4-chlorobenzoate
CID 78789028
(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
CID 10538158
[2-(3-chloro-4-methylphenyl)-2-oxoethyl] acetate
CID 146005834
[(E)-4-(4-chlorophenyl)-4-phenylbut-3-enyl] acetate
CID 102243525
[(3R,4S)-3,4-diacetyloxy-4-(4-chlorophenyl)-2-oxobutyl] acetate
CID 25228257
[(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate
CID 70189068
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
6-(4-chlorophenyl)hexyl acetate
CID 139787467
(4-chlorophenyl) acetate
CID 13410
(3-acetamido-2-hydroxypropyl) 4-chlorobenzoate
CID 139815315

Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate?
The IUPAC name of [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate (CID 102045286) is [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate.
What is the SMILES notation for [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate?
The canonical SMILES for [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate is CC(=O)OCC(COC(C)=O)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate?
The InChIKey is ZVTDRBBRIIMSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2O4/c1-13(23)25-11-17(12-26-14(2)24)20(15-3-7-18(21)8-4-15)16-5-9-19(22)10-6-16/h3-10H,11-12H2,1-2H3.
What are the key properties of [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate?
[2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate has a molecular weight of 393.27 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate is sourced from PubChem (CID 102045286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).