2-ethenylbenzo[g][1,3]benzodioxole

C13H10O2 — CID 176766082

IUPAC2-ethenylbenzo[g][1,3]benzodioxole
SMILESC=CC1Oc2ccc3ccccc3c2O1
InChIInChI=1S/C13H10O2/c1-2-12-14-11-8-7-9-5-3-4-6-10(9)13(11)15-12/h2-8,12H,1H2
InChIKeyTWVROFOLMUOVGG-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.12
Rot. Bonds1

About 2-ethenylbenzo[g][1,3]benzodioxole

2-ethenylbenzo[g][1,3]benzodioxole (PubChem CID 176766082) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-ethenylbenzo[g][1,3]benzodioxole.

Molecular Properties

Compound Name2-ethenylbenzo[g][1,3]benzodioxole
PubChem CID176766082
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name2-ethenylbenzo[g][1,3]benzodioxole
SMILESC=CC1Oc2ccc3ccccc3c2O1
InChIInChI=1S/C13H10O2/c1-2-12-14-11-8-7-9-5-3-4-6-10(9)13(11)15-12/h2-8,12H,1H2
InChIKeyTWVROFOLMUOVGG-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol
CID 13157038
[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol
CID 102377836
4,4'-spirobi[3,5-dioxa-4-boranuidatricyclo[7.4.0.02,6]trideca-1(13),2(6),7,9,11-pentaene]
CID 58795481
(1R,13R)-12,24-dioxa-25-azoniahexacyclo[11.11.1.02,11.05,10.014,23.017,22]pentacosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
CID 11896403
(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
CID 71408013
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
2-phenylbenzo[g][1,3,2]benzodioxaborole
CID 172742633
spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 126729461
(12R,16R,18S)-16-ethenyl-18-phenyl-11-oxa-17-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaene
CID 46196603
2-methylidene-3,4-dihydrobenzo[h]chromen-4-ol
CID 177433025
2-phenyl-3,4-dihydro-2H-benzo[h]chromene
CID 15828390

Frequently Asked Questions

What is the IUPAC name of 2-ethenylbenzo[g][1,3]benzodioxole?
The IUPAC name of 2-ethenylbenzo[g][1,3]benzodioxole (CID 176766082) is 2-ethenylbenzo[g][1,3]benzodioxole.
What is the SMILES notation for 2-ethenylbenzo[g][1,3]benzodioxole?
The canonical SMILES for 2-ethenylbenzo[g][1,3]benzodioxole is C=CC1Oc2ccc3ccccc3c2O1.
What is the InChIKey of 2-ethenylbenzo[g][1,3]benzodioxole?
The InChIKey is TWVROFOLMUOVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-2-12-14-11-8-7-9-5-3-4-6-10(9)13(11)15-12/h2-8,12H,1H2.
What are the key properties of 2-ethenylbenzo[g][1,3]benzodioxole?
2-ethenylbenzo[g][1,3]benzodioxole has a molecular weight of 198.22 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylbenzo[g][1,3]benzodioxole is sourced from PubChem (CID 176766082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).