1-(2,4-dihydro-1-benzofuran-7-yl)ethanone

C10H10O2 — CID 67621509

IUPAC1-(2,4-dihydro-1-benzofuran-7-yl)ethanone
SMILESCC(=O)C1=C2OCC=C2CC=C1
InChIInChI=1S/C10H10O2/c1-7(11)9-4-2-3-8-5-6-12-10(8)9/h2,4-5H,3,6H2,1H3
InChIKeyPSIUKGKNYASBIC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.75
Rot. Bonds1

About 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone

1-(2,4-dihydro-1-benzofuran-7-yl)ethanone (PubChem CID 67621509) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydro-1-benzofuran-7-yl)ethanone
PubChem CID67621509
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1-(2,4-dihydro-1-benzofuran-7-yl)ethanone
SMILESCC(=O)C1=C2OCC=C2CC=C1
InChIInChI=1S/C10H10O2/c1-7(11)9-4-2-3-8-5-6-12-10(8)9/h2,4-5H,3,6H2,1H3
InChIKeyPSIUKGKNYASBIC-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Novaezelandin A
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3,7-dimethyl-2H-furo(2,3-c)pyran-2-one
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Pyrenocine F
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3,5-Dimethyl 2H-Furo[2,3-c]pyran-2-one
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Chromen-6(7 h)-one
CID 67662306
6(2h)-Benzofuranone
CID 68554803
Chromen-6-one
CID 129716310
1-(2,6-dimethyl-2H-pyran-5-yl)ethanone
CID 12500718
4-Methoxy-6-methylidenecyclohexa-2,4-dien-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone?
The IUPAC name of 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone (CID 67621509) is 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone.
What is the SMILES notation for 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone?
The canonical SMILES for 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone is CC(=O)C1=C2OCC=C2CC=C1.
What is the InChIKey of 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone?
The InChIKey is PSIUKGKNYASBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7(11)9-4-2-3-8-5-6-12-10(8)9/h2,4-5H,3,6H2,1H3.
What are the key properties of 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone?
1-(2,4-dihydro-1-benzofuran-7-yl)ethanone has a molecular weight of 162.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydro-1-benzofuran-7-yl)ethanone is sourced from PubChem (CID 67621509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).