7,7a-dihydro-1-benzofuran

C8H8O — CID 19744327

IUPAC7,7a-dihydro-1-benzofuran
SMILESC1=CCC2OC=CC2=C1
InChIInChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-3,5-6,8H,4H2
InChIKeyWUCZQVYTWIYVQW-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.79
Rot. Bonds

About 7,7a-dihydro-1-benzofuran

7,7a-dihydro-1-benzofuran (PubChem CID 19744327) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 7,7a-dihydro-1-benzofuran.

Molecular Properties

Compound Name7,7a-dihydro-1-benzofuran
PubChem CID19744327
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name7,7a-dihydro-1-benzofuran
SMILESC1=CCC2OC=CC2=C1
InChIInChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-3,5-6,8H,4H2
InChIKeyWUCZQVYTWIYVQW-UHFFFAOYSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
7-Oxabenzonorbornadiene
CID 129736041
7-Tetrahydrobenzofuran
CID 17799099
Benzo[b]pyran
CID 18378161
Dibenzo[b,d]pyran
CID 19702209
Cyclohepta[b]pyran
CID 21477271
6,7-Tetrahydroisobenzofuran
CID 21849955
Fluoreno[1,2-b]pyran
CID 22497284
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene
CID 54156978
2-Oxabicyclo[2.2.1]hepta-3,5-diene
CID 67217101
Cyclopentabenzofuran
CID 87131369
Dihydrodibenz[b,e]-oxepine
CID 87554976

Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-1-benzofuran?
The IUPAC name of 7,7a-dihydro-1-benzofuran (CID 19744327) is 7,7a-dihydro-1-benzofuran.
What is the SMILES notation for 7,7a-dihydro-1-benzofuran?
The canonical SMILES for 7,7a-dihydro-1-benzofuran is C1=CCC2OC=CC2=C1.
What is the InChIKey of 7,7a-dihydro-1-benzofuran?
The InChIKey is WUCZQVYTWIYVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-3,5-6,8H,4H2.
What are the key properties of 7,7a-dihydro-1-benzofuran?
7,7a-dihydro-1-benzofuran has a molecular weight of 120.15 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-1-benzofuran is sourced from PubChem (CID 19744327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).