[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate

C23H36O5 — CID 141148085

IUPAC[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC/C=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C23H36O5/c1-4-5-6-7-8-9-10-11-12-15-22(24)28-16-13-14-19-17-20(26-2)23(25)21(18-19)27-3/h13-14,17-18,25H,4-12,15-16H2,1-3H3/b14-13+
InChIKeyHNKCDDOSCRKSGB-BUHFOSPRSA-N
MW392.54 g/mol
LogP5.89
Rot. Bonds15

About [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate

[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate (PubChem CID 141148085) has the molecular formula C23H36O5 and a molecular weight of 392.54 g/mol. Its IUPAC name is [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate.

Molecular Properties

Compound Name[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate
PubChem CID141148085
Molecular FormulaC23H36O5
Molecular Weight392.54 g/mol
Exact Mass392.26
IUPAC Name[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC/C=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C23H36O5/c1-4-5-6-7-8-9-10-11-12-15-22(24)28-16-13-14-19-17-20(26-2)23(25)21(18-19)27-3/h13-14,17-18,25H,4-12,15-16H2,1-3H3/b14-13+
InChIKeyHNKCDDOSCRKSGB-BUHFOSPRSA-N
XLogP5.89
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate 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

[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] docosanoate
CID 171476606
[(E)-3-(4-heptanoyloxy-3-methoxyphenyl)prop-2-enyl] heptanoate
CID 86574393
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] hexacosanoate
CID 141473450
[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl] (Z)-docos-13-enoate
CID 172560348
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 2-methylprop-2-enoate
CID 139950809
[(E)-3-(4-butanoyloxy-3-methoxyphenyl)prop-2-enyl] butanoate
CID 86574372
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193
but-2-enyl octanoate
CID 141242223
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 85318213
didodecyl 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedioate
CID 10167699
icosan-9-yl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 141227838
4-[(1E,16Z)-3-hydroxypentacosa-1,16-dienyl]-2,6-dimethoxyphenol
CID 141280976

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate?
The IUPAC name of [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate (CID 141148085) is [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate.
What is the SMILES notation for [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate?
The canonical SMILES for [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate is CCCCCCCCCCCC(=O)OC/C=C/c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate?
The InChIKey is HNKCDDOSCRKSGB-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H36O5/c1-4-5-6-7-8-9-10-11-12-15-22(24)28-16-13-14-19-17-20(26-2)23(25)21(18-19)27-3/h13-14,17-18,25H,4-12,15-16H2,1-3H3/b14-13+.
What are the key properties of [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate?
[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate has a molecular weight of 392.54 g/mol, XLogP of 5.89, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate is sourced from PubChem (CID 141148085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).