1-(2-acetyloxyphenyl)ethyl prop-2-enoate

C13H14O4 — CID 175062364

IUPAC1-(2-acetyloxyphenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1ccccc1OC(C)=O
InChIInChI=1S/C13H14O4/c1-4-13(15)16-9(2)11-7-5-6-8-12(11)17-10(3)14/h4-9H,1H2,2-3H3
InChIKeyYSXICSMFURLIOW-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-acetyloxyphenyl)ethyl prop-2-enoate

1-(2-acetyloxyphenyl)ethyl prop-2-enoate (PubChem CID 175062364) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(2-acetyloxyphenyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(2-acetyloxyphenyl)ethyl prop-2-enoate
PubChem CID175062364
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name1-(2-acetyloxyphenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1ccccc1OC(C)=O
InChIInChI=1S/C13H14O4/c1-4-13(15)16-9(2)11-7-5-6-8-12(11)17-10(3)14/h4-9H,1H2,2-3H3
InChIKeyYSXICSMFURLIOW-UHFFFAOYSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methylamino)phenyl]ethyl prop-2-enoate
CID 70261279
1-phenylethyl prop-2-enoate
CID 175321764
[2-[1-[1-(2-acetyloxyphenyl)prop-2-enylsulfanyl]prop-2-enyl]phenyl] acetate
CID 70247205
2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate
CID 66776977
1-(2-hydroxyphenoxy)ethyl prop-2-enoate
CID 18934210
1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate
CID 18934405
benzene;(2-ethenylphenyl) acetate
CID 175577038
1-[2,4-bis(phenylsulfanyl)phenyl]ethyl prop-2-enoate
CID 118070006
[2-[[2-acetyloxy-3-[bis(2-acetyloxyphenyl)methyl]phenyl]-(2-acetyloxyphenyl)methyl]phenyl] acetate
CID 59317424
1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate
CID 163701901
2-(1-prop-2-enoyloxyethoxy)benzoic acid
CID 18934237
1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate
CID 139655481

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyloxyphenyl)ethyl prop-2-enoate?
The IUPAC name of 1-(2-acetyloxyphenyl)ethyl prop-2-enoate (CID 175062364) is 1-(2-acetyloxyphenyl)ethyl prop-2-enoate.
What is the SMILES notation for 1-(2-acetyloxyphenyl)ethyl prop-2-enoate?
The canonical SMILES for 1-(2-acetyloxyphenyl)ethyl prop-2-enoate is C=CC(=O)OC(C)c1ccccc1OC(C)=O.
What is the InChIKey of 1-(2-acetyloxyphenyl)ethyl prop-2-enoate?
The InChIKey is YSXICSMFURLIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-4-13(15)16-9(2)11-7-5-6-8-12(11)17-10(3)14/h4-9H,1H2,2-3H3.
What are the key properties of 1-(2-acetyloxyphenyl)ethyl prop-2-enoate?
1-(2-acetyloxyphenyl)ethyl prop-2-enoate has a molecular weight of 234.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyloxyphenyl)ethyl prop-2-enoate is sourced from PubChem (CID 175062364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).