1,3,5,6-tetrahydro-2-benzofuran

C8H10O — CID 19809571

IUPAC1,3,5,6-tetrahydro-2-benzofuran
SMILESC1=C2COCC2=CCC1
InChIInChI=1S/C8H10O/c1-2-4-8-6-9-5-7(8)3-1/h3-4H,1-2,5-6H2
InChIKeyVPXHQDPHENUIGN-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds

About 1,3,5,6-tetrahydro-2-benzofuran

1,3,5,6-tetrahydro-2-benzofuran (PubChem CID 19809571) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,3,5,6-tetrahydro-2-benzofuran.

Molecular Properties

Compound Name1,3,5,6-tetrahydro-2-benzofuran
PubChem CID19809571
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1,3,5,6-tetrahydro-2-benzofuran
SMILESC1=C2COCC2=CCC1
InChIInChI=1S/C8H10O/c1-2-4-8-6-9-5-7(8)3-1/h3-4H,1-2,5-6H2
InChIKeyVPXHQDPHENUIGN-UHFFFAOYSA-N
XLogP1.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,5,6-tetrahydro-2-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4,7-Tetrahydroisobenzofuran
CID 155934692
6,7-Tetrahydroisobenzofuran
CID 21849955
Tetrahydroisobenzofuran
CID 22708525
Dihydrocyclopenta(C)pyrane
CID 67724778
4-prop-1-en-2-yl-3,6-dihydro-2H-pyran
CID 91333642
1,3,4a,5,7,7a-Hexahydrofuro[3,4-f][2]benzofuran
CID 10702165
(3aS,6R)-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 10725397
6-Methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 23624501
3-(2-Methylprop-1-enyl)-2,5-dihydrofuran
CID 134860390
(3E)-3-hexylidene-4-methylideneoxolane
CID 134993773
(3Z)-3-hexylidene-4-methylideneoxolane
CID 10920883
5-(2-Methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran
CID 13427507

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetrahydro-2-benzofuran?
The IUPAC name of 1,3,5,6-tetrahydro-2-benzofuran (CID 19809571) is 1,3,5,6-tetrahydro-2-benzofuran.
What is the SMILES notation for 1,3,5,6-tetrahydro-2-benzofuran?
The canonical SMILES for 1,3,5,6-tetrahydro-2-benzofuran is C1=C2COCC2=CCC1.
What is the InChIKey of 1,3,5,6-tetrahydro-2-benzofuran?
The InChIKey is VPXHQDPHENUIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-4-8-6-9-5-7(8)3-1/h3-4H,1-2,5-6H2.
What are the key properties of 1,3,5,6-tetrahydro-2-benzofuran?
1,3,5,6-tetrahydro-2-benzofuran has a molecular weight of 122.17 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetrahydro-2-benzofuran is sourced from PubChem (CID 19809571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).