1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium

C10H9O2Y- — CID 59106151

IUPAC1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium
SMILESCC(=O)C1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C10H9O2.Y/c1-7(11)10-6-8-4-2-3-5-9(8)12-10;/h3-5,10H,6H2,1H3;/q-1;
InChIKeyAKHHRFNUPPGVAM-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.38
Rot. Bonds1

About 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium

1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium (PubChem CID 59106151) has the molecular formula C10H9O2Y- and a molecular weight of 250.09 g/mol. Its IUPAC name is 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium.

Molecular Properties

Compound Name1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium
PubChem CID59106151
Molecular FormulaC10H9O2Y-
Molecular Weight250.09 g/mol
Exact Mass249.97
IUPAC Name1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium
SMILESCC(=O)C1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C10H9O2.Y/c1-7(11)10-6-8-4-2-3-5-9(8)12-10;/h3-5,10H,6H2,1H3;/q-1;
InChIKeyAKHHRFNUPPGVAM-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

7,8a-Dihydrochromen-8-one
CID 57312610
3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium
CID 59106146
2,6a-Dihydrofuro[2,3-h]chromen-6-one
CID 89392458
1-(3-methyl-2H-pyran-2-yl)ethanone
CID 141173110
(5E)-5-ethenyl-4-propoxyocta-5,7-dien-3-one
CID 144482455
1-(2,3,4,6-Tetrahydrochromen-6-id-2-yl)propan-1-one;yttrium
CID 148250198
5-But-2-enyl-6-methoxycyclohexa-2,4-dien-1-one
CID 173320236
1,3-dimethyl-1H-2-benzofuran-4-one
CID 174737945
1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone
CID 15200904
Ethanone, 1-(3,6-dihydro-4,6-dimethyl-2H-pyran-2-yl)-, cis-(9CI)
CID 15200905
1-[(2R,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone
CID 45085994
1-[(2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone
CID 133669641

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium?
The IUPAC name of 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium (CID 59106151) is 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium.
What is the SMILES notation for 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium?
The canonical SMILES for 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium is CC(=O)C1Cc2c[c-]ccc2O1.[Y].
What is the InChIKey of 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium?
The InChIKey is AKHHRFNUPPGVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O2.Y/c1-7(11)10-6-8-4-2-3-5-9(8)12-10;/h3-5,10H,6H2,1H3;/q-1;.
What are the key properties of 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium?
1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium has a molecular weight of 250.09 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium is sourced from PubChem (CID 59106151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).