3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate

C14H18O5 — CID 162966956

IUPAC3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate
SMILESCOc1cc(C=CCOC(C)=O)cc(OC)c1OC
InChIInChI=1S/C14H18O5/c1-10(15)19-7-5-6-11-8-12(16-2)14(18-4)13(9-11)17-3/h5-6,8-9H,7H2,1-4H3
InChIKeyIMLQOKDTSYBFHF-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.29
Rot. Bonds6

About 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate

3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate (PubChem CID 162966956) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate.

Molecular Properties

Compound Name3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate
PubChem CID162966956
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate
SMILESCOc1cc(C=CCOC(C)=O)cc(OC)c1OC
InChIInChI=1S/C14H18O5/c1-10(15)19-7-5-6-11-8-12(16-2)14(18-4)13(9-11)17-3/h5-6,8-9H,7H2,1-4H3
InChIKeyIMLQOKDTSYBFHF-UHFFFAOYSA-N
XLogP2.29
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-acetyloxy-3-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenyl]-5-methoxyphenyl]prop-2-enyl acetate
CID 163044614
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
3-[4-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl acetate
CID 162915010
[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] (2S)-2-methylbutanoate
CID 163106733
3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
CID 613644
[(E)-3-[3,5-dimethoxy-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] acetate
CID 14130917
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 2-methylprop-2-enoate
CID 139950809
[2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate
CID 13436223
3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid
CID 69110649
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
[(E)-3-(4-butanoyloxy-3-methoxyphenyl)prop-2-enyl] butanoate
CID 86574372
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate?
The IUPAC name of 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate (CID 162966956) is 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate.
What is the SMILES notation for 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate?
The canonical SMILES for 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate is COc1cc(C=CCOC(C)=O)cc(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate?
The InChIKey is IMLQOKDTSYBFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-10(15)19-7-5-6-11-8-12(16-2)14(18-4)13(9-11)17-3/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate?
3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate has a molecular weight of 266.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate is sourced from PubChem (CID 162966956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).