2,4-dihydro-1-benzofuran

C8H8O — CID 18800880

IUPAC2,4-dihydro-1-benzofuran
SMILESC1=CCC2=CCOC2=C1
InChIInChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-2,4-5H,3,6H2
InChIKeyNCWZVNVJFSXADS-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.79
Rot. Bonds

About 2,4-dihydro-1-benzofuran

2,4-dihydro-1-benzofuran (PubChem CID 18800880) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 2,4-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,4-dihydro-1-benzofuran
PubChem CID18800880
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name2,4-dihydro-1-benzofuran
SMILESC1=CCC2=CCOC2=C1
InChIInChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-2,4-5H,3,6H2
InChIKeyNCWZVNVJFSXADS-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1-benzofuran?
The IUPAC name of 2,4-dihydro-1-benzofuran (CID 18800880) is 2,4-dihydro-1-benzofuran.
What is the SMILES notation for 2,4-dihydro-1-benzofuran?
The canonical SMILES for 2,4-dihydro-1-benzofuran is C1=CCC2=CCOC2=C1.
What is the InChIKey of 2,4-dihydro-1-benzofuran?
The InChIKey is NCWZVNVJFSXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-2,4-5H,3,6H2.
What are the key properties of 2,4-dihydro-1-benzofuran?
2,4-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 2,4-dihydro-1-benzofuran is sourced from PubChem (CID 18800880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).