2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate

C20H24O4 — CID 175305581

IUPAC2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccc(OCC(=O)OCC2CC3C=CC2C3)c(OC)c1
InChIInChI=1S/C20H24O4/c1-3-4-14-6-8-18(19(11-14)22-2)23-13-20(21)24-12-17-10-15-5-7-16(17)9-15/h3,5-8,11,15-17H,1,4,9-10,12-13H2,2H3
InChIKeyPPUUFKMHTRLBKX-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.56
Rot. Bonds8

About 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate

2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate (PubChem CID 175305581) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
PubChem CID175305581
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccc(OCC(=O)OCC2CC3C=CC2C3)c(OC)c1
InChIInChI=1S/C20H24O4/c1-3-4-14-6-8-18(19(11-14)22-2)23-13-20(21)24-12-17-10-15-5-7-16(17)9-15/h3,5-8,11,15-17H,1,4,9-10,12-13H2,2H3
InChIKeyPPUUFKMHTRLBKX-UHFFFAOYSA-N
XLogP3.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)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

(4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804150
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804098
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804101
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804136
[2-(4-cyanoanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804200
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804130
1-(2,3-dimethylpiperazin-1-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone;hydrochloride
CID 120570765
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 112788449

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate (CID 175305581) is 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate is C=CCc1ccc(OCC(=O)OCC2CC3C=CC2C3)c(OC)c1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The InChIKey is PPUUFKMHTRLBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-3-4-14-6-8-18(19(11-14)22-2)23-13-20(21)24-12-17-10-15-5-7-16(17)9-15/h3,5-8,11,15-17H,1,4,9-10,12-13H2,2H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate has a molecular weight of 328.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate is sourced from PubChem (CID 175305581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).