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

C12H14O4 — CID 173173470

IUPAC[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate
SMILESCOc1ccc(/C=C/COC=O)c(OC)c1
InChIInChI=1S/C12H14O4/c1-14-11-6-5-10(12(8-11)15-2)4-3-7-16-9-13/h3-6,8-9H,7H2,1-2H3/b4-3+
InChIKeyJRNKSCBHPNINOL-ONEGZZNKSA-N
MW222.24 g/mol
LogP1.89
Rot. Bonds6

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

[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate (PubChem CID 173173470) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is [(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate.

Molecular Properties

Compound Name[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate
PubChem CID173173470
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate
SMILESCOc1ccc(/C=C/COC=O)c(OC)c1
InChIInChI=1S/C12H14O4/c1-14-11-6-5-10(12(8-11)15-2)4-3-7-16-9-13/h3-6,8-9H,7H2,1-2H3/b4-3+
InChIKeyJRNKSCBHPNINOL-ONEGZZNKSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene
CID 11174476
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
(E)-2-amino-5-(2,4-dimethoxyphenyl)pent-4-enoic acid
CID 112518794
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
CID 90326933
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
CID 83350088
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
CID 117295921

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate?
The IUPAC name of [(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate (CID 173173470) is [(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate.
What is the SMILES notation for [(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate?
The canonical SMILES for [(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate is COc1ccc(/C=C/COC=O)c(OC)c1.
What is the InChIKey of [(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate?
The InChIKey is JRNKSCBHPNINOL-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H14O4/c1-14-11-6-5-10(12(8-11)15-2)4-3-7-16-9-13/h3-6,8-9H,7H2,1-2H3/b4-3+.
What are the key properties of [(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate?
[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate has a molecular weight of 222.24 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate is sourced from PubChem (CID 173173470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).