1-(5,6-dihydro-1-benzofuran-2-yl)ethanone

C10H10O2 — CID 119087440

IUPAC1-(5,6-dihydro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(o1)=CCCC=2
InChIInChI=1S/C10H10O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h4-6H,2-3H2,1H3
InChIKeyBMCHXENYPSPGAR-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.84
Rot. Bonds1

About 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone

1-(5,6-dihydro-1-benzofuran-2-yl)ethanone (PubChem CID 119087440) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dihydro-1-benzofuran-2-yl)ethanone
PubChem CID119087440
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1-(5,6-dihydro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(o1)=CCCC=2
InChIInChI=1S/C10H10O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h4-6H,2-3H2,1H3
InChIKeyBMCHXENYPSPGAR-UHFFFAOYSA-N
XLogP0.84
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10080571
2,2-Dimethyl-5-(prop-1-en-2-yl)furan-3(2H)-one
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2,2-Dimethyl-5-(1-propenyl)-3(2H)-furanone
CID 6440085
1-(7-Fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone
CID 167020813
5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one
CID 11062763
1-[(4Z,5Z)-4-ethylidene-5-(1-fluoropropylidene)furan-2-yl]propan-1-one
CID 162428082
2,2-Dimethylchromene-5,8-dione
CID 11194815
2,2-Dimethyl-6-methylidenepyran-3-one
CID 20695153
4,6-Diacetylpyran-2-one
CID 20695346
2-Prenyloxy-1,4-benzoquinone
CID 53420490
2,4-Dimethoxy-3-methyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 54290030
1-(3a,7a-Dihydro-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 89001757

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone (CID 119087440) is 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2c(o1)=CCCC=2.
What is the InChIKey of 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone?
The InChIKey is BMCHXENYPSPGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h4-6H,2-3H2,1H3.
What are the key properties of 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone?
1-(5,6-dihydro-1-benzofuran-2-yl)ethanone has a molecular weight of 162.19 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 119087440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).