acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate

C14H18O5 — CID 159570421

IUPACacetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
SMILESC=CCc1ccc(OC(C)=O)c(OC)c1.CC(=O)O
InChIInChI=1S/C12H14O3.C2H4O2/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3;1-2(3)4/h4,6-8H,1,5H2,2-3H3;1H3,(H,3,4)
InChIKeyMHSXWQRZZLDGRB-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.44
Rot. Bonds4

About acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate

acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate (PubChem CID 159570421) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate.

Molecular Properties

Compound Nameacetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
PubChem CID159570421
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameacetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
SMILESC=CCc1ccc(OC(C)=O)c(OC)c1.CC(=O)O
InChIInChI=1S/C12H14O3.C2H4O2/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3;1-2(3)4/h4,6-8H,1,5H2,2-3H3;1H3,(H,3,4)
InChIKeyMHSXWQRZZLDGRB-UHFFFAOYSA-N
XLogP2.44
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
2-hydroxy-4-(2-methoxy-4-prop-2-enylphenoxy)-4-oxobutanoic acid
CID 67325524
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
chloromethyl (2-methoxy-4-prop-2-enylphenyl) carbonate
CID 88995763
[2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate
CID 45269977
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
(E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 162516150
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
CID 146301981

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate?
The IUPAC name of acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate (CID 159570421) is acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate.
What is the SMILES notation for acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate?
The canonical SMILES for acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate is C=CCc1ccc(OC(C)=O)c(OC)c1.CC(=O)O.
What is the InChIKey of acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate?
The InChIKey is MHSXWQRZZLDGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3.C2H4O2/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3;1-2(3)4/h4,6-8H,1,5H2,2-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate?
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate has a molecular weight of 266.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate is sourced from PubChem (CID 159570421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).