5-(3-phenylprop-1-enyl)-1,3-benzodioxole

C16H14O2 — CID 154074400

IUPAC5-(3-phenylprop-1-enyl)-1,3-benzodioxole
SMILESC(=Cc1ccc2c(c1)OCO2)Cc1ccccc1
InChIInChI=1S/C16H14O2/c1-2-5-13(6-3-1)7-4-8-14-9-10-15-16(11-14)18-12-17-15/h1-6,8-11H,7,12H2
InChIKeyASYLOCFJGFOCMP-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.67
Rot. Bonds3

About 5-(3-phenylprop-1-enyl)-1,3-benzodioxole

5-(3-phenylprop-1-enyl)-1,3-benzodioxole (PubChem CID 154074400) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(3-phenylprop-1-enyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(3-phenylprop-1-enyl)-1,3-benzodioxole
PubChem CID154074400
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name5-(3-phenylprop-1-enyl)-1,3-benzodioxole
SMILESC(=Cc1ccc2c(c1)OCO2)Cc1ccccc1
InChIInChI=1S/C16H14O2/c1-2-5-13(6-3-1)7-4-8-14-9-10-15-16(11-14)18-12-17-15/h1-6,8-11H,7,12H2
InChIKeyASYLOCFJGFOCMP-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-phenylprop-1-enyl)-1,3-benzodioxole 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

6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine
CID 171681025
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
benzyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 5136102
1,3-benzodioxol-5-ylmethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 7248452
1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
CID 57207956
formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 6442051
N-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-2-phenylacetamide
CID 110712178
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
(2E,12E)-13-(1,3-benzodioxol-5-yl)trideca-2,12-dienoic acid
CID 10664180
5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
CID 54275545
N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
CID 169465574
(E)-3-(1,3-benzodioxol-5-yl)prop-2-enal
CID 5374493

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylprop-1-enyl)-1,3-benzodioxole?
The IUPAC name of 5-(3-phenylprop-1-enyl)-1,3-benzodioxole (CID 154074400) is 5-(3-phenylprop-1-enyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(3-phenylprop-1-enyl)-1,3-benzodioxole?
The canonical SMILES for 5-(3-phenylprop-1-enyl)-1,3-benzodioxole is C(=Cc1ccc2c(c1)OCO2)Cc1ccccc1.
What is the InChIKey of 5-(3-phenylprop-1-enyl)-1,3-benzodioxole?
The InChIKey is ASYLOCFJGFOCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-5-13(6-3-1)7-4-8-14-9-10-15-16(11-14)18-12-17-15/h1-6,8-11H,7,12H2.
What are the key properties of 5-(3-phenylprop-1-enyl)-1,3-benzodioxole?
5-(3-phenylprop-1-enyl)-1,3-benzodioxole has a molecular weight of 238.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylprop-1-enyl)-1,3-benzodioxole is sourced from PubChem (CID 154074400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).