[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate

C13H16O4 — CID 5387771

IUPAC[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
SMILESCOc1ccc(/C=C/COC(C)=O)cc1OC
InChIInChI=1S/C13H16O4/c1-10(14)17-8-4-5-11-6-7-12(15-2)13(9-11)16-3/h4-7,9H,8H2,1-3H3/b5-4+
InChIKeyMVLZLHBOBVWBQS-SNAWJCMRSA-N
MW236.27 g/mol
LogP2.28
Rot. Bonds5

About [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate

[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate (PubChem CID 5387771) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
PubChem CID5387771
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
SMILESCOc1ccc(/C=C/COC(C)=O)cc1OC
InChIInChI=1S/C13H16O4/c1-10(14)17-8-4-5-11-6-7-12(15-2)13(9-11)16-3/h4-7,9H,8H2,1-3H3/b5-4+
InChIKeyMVLZLHBOBVWBQS-SNAWJCMRSA-N
XLogP2.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
CID 613644
3-[4-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl acetate
CID 162915010
3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate
CID 162966956
[(2E,4Z)-4-cyano-5-(3,4-dimethoxyphenyl)penta-2,4-dienyl] acetate
CID 57380048
3-[4-acetyloxy-3-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenyl]-5-methoxyphenyl]prop-2-enyl acetate
CID 163044614
[(E)-3-(4-butanoyloxy-3-methoxyphenyl)prop-2-enyl] butanoate
CID 86574372
[(E)-3-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]prop-2-enyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 67641259
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
S-[4-(3,4-dimethoxyphenyl)but-3-enyl] ethanethioate
CID 170480387
[(E)-3-(4-heptanoyloxy-3-methoxyphenyl)prop-2-enyl] heptanoate
CID 86574393
[(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-enyl] acetate
CID 23725772

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate?
The IUPAC name of [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate (CID 5387771) is [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate is COc1ccc(/C=C/COC(C)=O)cc1OC.
What is the InChIKey of [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate?
The InChIKey is MVLZLHBOBVWBQS-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H16O4/c1-10(14)17-8-4-5-11-6-7-12(15-2)13(9-11)16-3/h4-7,9H,8H2,1-3H3/b5-4+.
What are the key properties of [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate?
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate has a molecular weight of 236.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate is sourced from PubChem (CID 5387771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).