3H-benzo[g][1,2]benzodioxole

C11H8O2 — CID 54077713

IUPAC3H-benzo[g][1,2]benzodioxole
SMILESc1ccc2c3c(ccc2c1)COO3
InChIInChI=1S/C11H8O2/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-6H,7H2
InChIKeyQLBBRASMEYARKU-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.66
Rot. Bonds

About 3H-benzo[g][1,2]benzodioxole

3H-benzo[g][1,2]benzodioxole (PubChem CID 54077713) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3H-benzo[g][1,2]benzodioxole.

Molecular Properties

Compound Name3H-benzo[g][1,2]benzodioxole
PubChem CID54077713
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name3H-benzo[g][1,2]benzodioxole
SMILESc1ccc2c3c(ccc2c1)COO3
InChIInChI=1S/C11H8O2/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-6H,7H2
InChIKeyQLBBRASMEYARKU-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2,3-dihydrobenzo[g][1]benzofuran
CID 102323760
3,4-dihydrobenzo[h]chromen-2-one
CID 19694428
2-phenyl-3,4-dihydro-2H-benzo[h]chromene
CID 15828390
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
13-methyl-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 100921438
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
3-[4-(2,4-dihydrobenzo[h][1,3]benzoxazin-3-yl)phenyl]-2,4-dihydrobenzo[h][1,3]benzoxazine
CID 70796822
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
2-butoxy-2,3-dihydrobenzo[g][1]benzofuran
CID 71816977
1-hydroxy-3H-benzo[g][2,1]benzoxaborole
CID 11846118
3-[[4-(2,4-dihydrobenzo[h][1,3]benzoxazin-3-ylmethyl)phenyl]methyl]-2,4-dihydrobenzo[h][1,3]benzoxazine
CID 139315341

Frequently Asked Questions

What is the IUPAC name of 3H-benzo[g][1,2]benzodioxole?
The IUPAC name of 3H-benzo[g][1,2]benzodioxole (CID 54077713) is 3H-benzo[g][1,2]benzodioxole.
What is the SMILES notation for 3H-benzo[g][1,2]benzodioxole?
The canonical SMILES for 3H-benzo[g][1,2]benzodioxole is c1ccc2c3c(ccc2c1)COO3.
What is the InChIKey of 3H-benzo[g][1,2]benzodioxole?
The InChIKey is QLBBRASMEYARKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-6H,7H2.
What are the key properties of 3H-benzo[g][1,2]benzodioxole?
3H-benzo[g][1,2]benzodioxole has a molecular weight of 172.18 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzo[g][1,2]benzodioxole is sourced from PubChem (CID 54077713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).