6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine

C17H16O2 — CID 171681025

IUPAC6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine
SMILESC(=C/c1ccc2c(c1)OCCO2)\Cc1ccccc1
InChIInChI=1S/C17H16O2/c1-2-5-14(6-3-1)7-4-8-15-9-10-16-17(13-15)19-12-11-18-16/h1-6,8-10,13H,7,11-12H2/b8-4+
InChIKeyOPOBWVOCDJKBMY-XBXARRHUSA-N
MW252.31 g/mol
LogP3.71
Rot. Bonds3

About 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine

6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 171681025) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID171681025
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine
SMILESC(=C/c1ccc2c(c1)OCCO2)\Cc1ccccc1
InChIInChI=1S/C17H16O2/c1-2-5-14(6-3-1)7-4-8-15-9-10-16-17(13-15)19-12-11-18-16/h1-6,8-10,13H,7,11-12H2/b8-4+
InChIKeyOPOBWVOCDJKBMY-XBXARRHUSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-phenylprop-1-enyl)-1,3-benzodioxole
CID 154074400
4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enal
CID 170482023
N-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-2-phenylacetamide
CID 110712178
N-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]benzenesulfonamide
CID 110712195
(E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-3-en-1-amine
CID 63967606
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoic acid;hydrochloride
CID 175105253
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79346981
6-[3-(3-iodopropoxy)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine
CID 67413627
N-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]propane-1-sulfonamide
CID 110712192
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4552324
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
(4E)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one
CID 108936607

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine (CID 171681025) is 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine is C(=C/c1ccc2c(c1)OCCO2)\Cc1ccccc1.
What is the InChIKey of 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is OPOBWVOCDJKBMY-XBXARRHUSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-5-14(6-3-1)7-4-8-15-9-10-16-17(13-15)19-12-11-18-16/h1-6,8-10,13H,7,11-12H2/b8-4+.
What are the key properties of 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine?
6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 252.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 171681025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).