[2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate

C20H20O4 — CID 123697769

IUPAC[2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(C=Cc1ccc(C)cc1)OC(C)=O
InChIInChI=1S/C20H20O4/c1-14-8-10-17(11-9-14)12-13-20(24-16(3)22)18-6-4-5-7-19(18)23-15(2)21/h4-13,20H,1-3H3
InChIKeyGEXWDMIORZVXOJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.24
Rot. Bonds5

About [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate

[2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate (PubChem CID 123697769) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate
PubChem CID123697769
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name[2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(C=Cc1ccc(C)cc1)OC(C)=O
InChIInChI=1S/C20H20O4/c1-14-8-10-17(11-9-14)12-13-20(24-16(3)22)18-6-4-5-7-19(18)23-15(2)21/h4-13,20H,1-3H3
InChIKeyGEXWDMIORZVXOJ-UHFFFAOYSA-N
XLogP4.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate
CID 118481864
[2-[(E)-1-acetyloxy-3-[4-(fluoromethyl)phenyl]prop-2-enyl]phenyl] acetate
CID 122455233
[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate
CID 118487629
[2-[3-(4-methylphenyl)prop-2-enoyl]phenyl] acetate
CID 2795085
(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 917922
(2-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 19177201
[(2S)-2-methyl-4-(4-methylphenyl)but-3-enyl] acetate
CID 174059188
1-(2-acetyloxyphenyl)ethyl prop-2-enoate
CID 175062364
[2-[[2-acetyloxy-3-[bis(2-acetyloxyphenyl)methyl]phenyl]-(2-acetyloxyphenyl)methyl]phenyl] acetate
CID 59317424
[(E,2S)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] acetate
CID 11808513
[2-[1-[1-(2-acetyloxyphenyl)prop-2-enylsulfanyl]prop-2-enyl]phenyl] acetate
CID 70247205
[2-[2-(4-methoxyphenyl)ethenylsulfanyl]phenyl] acetate
CID 54431072

Frequently Asked Questions

What is the IUPAC name of [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate?
The IUPAC name of [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate (CID 123697769) is [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate.
What is the SMILES notation for [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate?
The canonical SMILES for [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate is CC(=O)Oc1ccccc1C(C=Cc1ccc(C)cc1)OC(C)=O.
What is the InChIKey of [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate?
The InChIKey is GEXWDMIORZVXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-14-8-10-17(11-9-14)12-13-20(24-16(3)22)18-6-4-5-7-19(18)23-15(2)21/h4-13,20H,1-3H3.
What are the key properties of [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate?
[2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate has a molecular weight of 324.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate is sourced from PubChem (CID 123697769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).