(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran

C10H10O2 — CID 11298135

IUPAC(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
SMILESc1ccc2c(c1)O[C@@H]1OCC[C@H]21
InChIInChI=1S/C10H10O2/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-4,8,10H,5-6H2/t8-,10+/m1/s1
InChIKeyGXXKXVYPWUFQSX-SCZZXKLOSA-N
MW162.19 g/mol
LogP1.91
Rot. Bonds

About (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran

(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran (PubChem CID 11298135) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran.

Molecular Properties

Compound Name(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
PubChem CID11298135
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
SMILESc1ccc2c(c1)O[C@@H]1OCC[C@H]21
InChIInChI=1S/C10H10O2/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-4,8,10H,5-6H2/t8-,10+/m1/s1
InChIKeyGXXKXVYPWUFQSX-SCZZXKLOSA-N
XLogP1.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2a,7a-dihydro-2H-oxeto[2,3-b][1]benzofuran
CID 19848130
(3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran
CID 12969898
14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol
CID 14289254
(3aS,8bR)-1-methyl-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
CID 12969897
4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
CID 142978777
2-[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490152
(4aR,11bS)-1,2,3,4,4a,5,6,11b-octahydro-[1]benzoxepino[4,5-c]pyridine
CID 165145899
(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
CID 10534823
(3aR,4R,9aS)-6-bromo-N-phenyl-3,3a,4,9a-tetrahydro-2H-furo[2,3-b]chromen-4-amine
CID 101448693
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
3,3a,5,9b-tetrahydro-2H-furo[3,2-c]quinolin-4-one
CID 101071705
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran?
The IUPAC name of (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran (CID 11298135) is (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran.
What is the SMILES notation for (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran?
The canonical SMILES for (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran is c1ccc2c(c1)O[C@@H]1OCC[C@H]21.
What is the InChIKey of (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran?
The InChIKey is GXXKXVYPWUFQSX-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-4,8,10H,5-6H2/t8-,10+/m1/s1.
What are the key properties of (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran?
(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran has a molecular weight of 162.19 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran is sourced from PubChem (CID 11298135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).