2,3,3a,4-tetrahydrobenzo[g][1]benzofuran

C12H12O — CID 154307410

IUPAC2,3,3a,4-tetrahydrobenzo[g][1]benzofuran
SMILESC1=c2ccccc2=C2OCCC2C1
InChIInChI=1S/C12H12O/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-5,10H,6-8H2
InChIKeyAMZMAUIBQAHMDJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.02
Rot. Bonds

About 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran

2,3,3a,4-tetrahydrobenzo[g][1]benzofuran (PubChem CID 154307410) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran.

Molecular Properties

Compound Name2,3,3a,4-tetrahydrobenzo[g][1]benzofuran
PubChem CID154307410
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2,3,3a,4-tetrahydrobenzo[g][1]benzofuran
SMILESC1=c2ccccc2=C2OCCC2C1
InChIInChI=1S/C12H12O/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-5,10H,6-8H2
InChIKeyAMZMAUIBQAHMDJ-UHFFFAOYSA-N
XLogP1.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrobenzofuran
CID 17985514
1,9a-Dihydrobenzo[f][2]benzofuran
CID 22463394
6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene
CID 153361550
3-Iodotetrahydrobenzofuran
CID 129859847
(9aS,9bS)-8-fluoro-9a,9b-dihydrobenzo[e][1]benzofuran
CID 100992453
2-Methyl-2,3,3a,4-tetrahydro-1-benzofuran
CID 22238196
4-methylidene-3,7-dihydro-2H-1-benzofuran
CID 23534356
7-Methyl-2,3,3a,4-tetrahydro-1-benzofuran
CID 56618574
15-Oxatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9,11-hexaene
CID 60101478
3,4,7,8-tetrahydro-2H-chromene
CID 68049283
4-Ethenyl-2,3,3a,4-tetrahydro-1-benzofuran
CID 68406923
4,4a-dihydro-3H-isochromene
CID 69672850

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran?
The IUPAC name of 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran (CID 154307410) is 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran.
What is the SMILES notation for 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran?
The canonical SMILES for 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran is C1=c2ccccc2=C2OCCC2C1.
What is the InChIKey of 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran?
The InChIKey is AMZMAUIBQAHMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-5,10H,6-8H2.
What are the key properties of 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran?
2,3,3a,4-tetrahydrobenzo[g][1]benzofuran has a molecular weight of 172.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydrobenzo[g][1]benzofuran is sourced from PubChem (CID 154307410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).