6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine

C17H16O2 — CID 172650802

IUPAC6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine
SMILESC=Cc1cc(C)cc(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H16O2/c1-3-13-8-12(2)9-15(10-13)14-4-5-16-17(11-14)19-7-6-18-16/h3-5,8-11H,1,6-7H2,2H3
InChIKeyDQWJIABOAYJOIA-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.08
Rot. Bonds2

About 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine

6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 172650802) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID172650802
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine
SMILESC=Cc1cc(C)cc(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H16O2/c1-3-13-8-12(2)9-15(10-13)14-4-5-16-17(11-14)19-7-6-18-16/h3-5,8-11H,1,6-7H2,2H3
InChIKeyDQWJIABOAYJOIA-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
6-[4-ethenyl-3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine
CID 172650766
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
CID 82088714
3-(3-ethenyl-5-methylphenyl)thiophene
CID 172650410
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
CID 82766369
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanamine;hydrochloride
CID 172650755
9-[2,6-bis(2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-9-yl)pyrylium-4-yl]-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
CID 102211345
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine
CID 18874646
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine (CID 172650802) is 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine is C=Cc1cc(C)cc(-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is DQWJIABOAYJOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-3-13-8-12(2)9-15(10-13)14-4-5-16-17(11-14)19-7-6-18-16/h3-5,8-11H,1,6-7H2,2H3.
What are the key properties of 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine?
6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 252.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 172650802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).