2H-1-benzofuran-6-one

C8H6O2 — CID 68554803

IUPAC2H-1-benzofuran-6-one
SMILESO=C1C=CC2=CCOC2=C1
InChIInChI=1S/C8H6O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-3,5H,4H2
InChIKeyVXDIXIPOESRMQA-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.97
Rot. Bonds

About 2H-1-benzofuran-6-one

2H-1-benzofuran-6-one (PubChem CID 68554803) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2H-1-benzofuran-6-one.

Molecular Properties

Compound Name2H-1-benzofuran-6-one
PubChem CID68554803
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name2H-1-benzofuran-6-one
SMILESO=C1C=CC2=CCOC2=C1
InChIInChI=1S/C8H6O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-3,5H,4H2
InChIKeyVXDIXIPOESRMQA-UHFFFAOYSA-N
XLogP0.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7H-1-Benzopyran-7-one
CID 21530759
3-Methoxy-4-methylidenecyclohexa-2,5-dien-1-one
CID 68224268
4h-Cyclopenta[b]pyran-5-one
CID 129859037
Furo[2,3-g]chromenone
CID 132277157
Benzopyrano pyran-7-one
CID 137321272
2H-cyclohepta[b]pyran-7-one
CID 14935104
7-Methyl-2h-furo[2,3-c]pyran-2-one
CID 11389479
5-Methylfuro[2,3-c]pyran-2-one
CID 11435036
6H-1-benzofuran-2-one
CID 17862121
7aH-1-benzofuran-2-ylidenemethanone
CID 17952751
1-[4-(2-Methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)
CID 20828870
Cyclohexa(b)furan-4-one
CID 21326097

Frequently Asked Questions

What is the IUPAC name of 2H-1-benzofuran-6-one?
The IUPAC name of 2H-1-benzofuran-6-one (CID 68554803) is 2H-1-benzofuran-6-one.
What is the SMILES notation for 2H-1-benzofuran-6-one?
The canonical SMILES for 2H-1-benzofuran-6-one is O=C1C=CC2=CCOC2=C1.
What is the InChIKey of 2H-1-benzofuran-6-one?
The InChIKey is VXDIXIPOESRMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-3,5H,4H2.
What are the key properties of 2H-1-benzofuran-6-one?
2H-1-benzofuran-6-one has a molecular weight of 134.13 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1-benzofuran-6-one is sourced from PubChem (CID 68554803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).