prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate

C14H18O5 — CID 175155335

IUPACprop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate
SMILESC=CCOC(=O)Cc1c(OC)ccc(OC)c1OC
InChIInChI=1S/C14H18O5/c1-5-8-19-13(15)9-10-11(16-2)6-7-12(17-3)14(10)18-4/h5-7H,1,8-9H2,2-4H3
InChIKeyWJXQKQSRBBKMLP-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.98
Rot. Bonds7

About prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate

prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate (PubChem CID 175155335) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate
PubChem CID175155335
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameprop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate
SMILESC=CCOC(=O)Cc1c(OC)ccc(OC)c1OC
InChIInChI=1S/C14H18O5/c1-5-8-19-13(15)9-10-11(16-2)6-7-12(17-3)14(10)18-4/h5-7H,1,8-9H2,2-4H3
InChIKeyWJXQKQSRBBKMLP-UHFFFAOYSA-N
XLogP1.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-cyano-2,6-dimethoxyphenyl)acetate
CID 134655715
methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate
CID 11528816
1-(2-methoxynaphthalen-1-yl)but-3-en-2-one
CID 139940505
prop-2-enyl 3-oxo-5-(3,4,5-trimethoxyphenyl)pent-4-enoate
CID 54062687
3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
prop-2-enyl 2-(4-hydroxyphenyl)acetate
CID 11275537
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate
CID 101387693
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one
CID 117349006
prop-2-enyl 2-(4-propan-2-ylphenyl)acetate
CID 175438226

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate?
The IUPAC name of prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate (CID 175155335) is prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate.
What is the SMILES notation for prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate?
The canonical SMILES for prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate is C=CCOC(=O)Cc1c(OC)ccc(OC)c1OC.
What is the InChIKey of prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate?
The InChIKey is WJXQKQSRBBKMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-5-8-19-13(15)9-10-11(16-2)6-7-12(17-3)14(10)18-4/h5-7H,1,8-9H2,2-4H3.
What are the key properties of prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate?
prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate has a molecular weight of 266.29 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate is sourced from PubChem (CID 175155335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).