5-(3-phenylprop-2-enoxy)-1,3-benzodioxole

C16H14O3 — CID 54275545

IUPAC5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
SMILESC(=Cc1ccccc1)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14O3/c1-2-5-13(6-3-1)7-4-10-17-14-8-9-15-16(11-14)19-12-18-15/h1-9,11H,10,12H2
InChIKeyRNDVQQKZAUFCAK-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.51
Rot. Bonds4

About 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole

5-(3-phenylprop-2-enoxy)-1,3-benzodioxole (PubChem CID 54275545) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
PubChem CID54275545
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
SMILESC(=Cc1ccccc1)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14O3/c1-2-5-13(6-3-1)7-4-10-17-14-8-9-15-16(11-14)19-12-18-15/h1-9,11H,10,12H2
InChIKeyRNDVQQKZAUFCAK-UHFFFAOYSA-N
XLogP3.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(1,3-benzodioxol-5-yloxy)but-2-enoic acid
CID 62343893
[(E)-3-phenylprop-2-enyl] 1,3-benzodioxole-5-carboxylate
CID 8012668
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
CID 132821616
1,3-benzodioxol-5-ylmethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 7248452
5-(3-phenylprop-1-enyl)-1,3-benzodioxole
CID 154074400
5-(2-phenylsulfanylethoxy)-1,3-benzodioxole
CID 79404002
5-but-3-enoxy-1,3-benzodioxole
CID 10511936
2-chloro-4-(3-phenylprop-2-enoxy)benzonitrile
CID 76981690
[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid
CID 43327904
1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
CID 135029746
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole?
The IUPAC name of 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole (CID 54275545) is 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole.
What is the SMILES notation for 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole?
The canonical SMILES for 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole is C(=Cc1ccccc1)COc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole?
The InChIKey is RNDVQQKZAUFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-5-13(6-3-1)7-4-10-17-14-8-9-15-16(11-14)19-12-18-15/h1-9,11H,10,12H2.
What are the key properties of 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole?
5-(3-phenylprop-2-enoxy)-1,3-benzodioxole has a molecular weight of 254.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylprop-2-enoxy)-1,3-benzodioxole is sourced from PubChem (CID 54275545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).