(4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium

C14H15O2Y- — CID 135041437

IUPAC(4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium
SMILES[CH2-][C@@]12C=CCC[C@@H]1Oc1c(OC)cccc12.[Y]
InChIInChI=1S/C14H15O2.Y/c1-14-9-4-3-8-12(14)16-13-10(14)6-5-7-11(13)15-2;/h4-7,9,12H,1,3,8H2,2H3;/q-1;/t12-,14-;/m0./s1
InChIKeyHIXGXJUMZIKRIC-KYSPHBLOSA-N
MW304.18 g/mol
LogP2.88
Rot. Bonds1

About (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium

(4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium (PubChem CID 135041437) has the molecular formula C14H15O2Y- and a molecular weight of 304.18 g/mol. Its IUPAC name is (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium.

Molecular Properties

Compound Name(4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium
PubChem CID135041437
Molecular FormulaC14H15O2Y-
Molecular Weight304.18 g/mol
Exact Mass304.01
IUPAC Name(4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium
SMILES[CH2-][C@@]12C=CCC[C@@H]1Oc1c(OC)cccc12.[Y]
InChIInChI=1S/C14H15O2.Y/c1-14-9-4-3-8-12(14)16-13-10(14)6-5-7-11(13)15-2;/h4-7,9,12H,1,3,8H2,2H3;/q-1;/t12-,14-;/m0./s1
InChIKeyHIXGXJUMZIKRIC-KYSPHBLOSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,12S)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene
CID 149440965
3-(cyclopropylmethyl)-9-methoxy-2,6,7,7a-tetrahydro-1H-[1]benzofuro[3,2-e]isoquinolin-4-one
CID 23467839
2-(1-formyl-4-methoxy-6,7-dihydro-5aH-dibenzofuran-9a-yl)acetonitrile
CID 72805864
[(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11352338
2-[(5aS,9aR)-4-methoxy-7-oxo-5a,6,8,9-tetrahydrodibenzofuran-9a-yl]acetonitrile
CID 11107980
[(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane
CID 11200139
[(3R,4aS,9bS)-6-methoxy-9b-(2-oxoethyl)-4,4a-dihydro-3H-dibenzofuran-3-yl] acetate
CID 102185626
(2S)-8-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70128617
9-methoxy-4-pyrimidin-2-yl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 71209884
3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 154037863
9-methoxy-4-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 71209904
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795

Frequently Asked Questions

What is the IUPAC name of (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium?
The IUPAC name of (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium (CID 135041437) is (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium.
What is the SMILES notation for (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium?
The canonical SMILES for (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium is [CH2-][C@@]12C=CCC[C@@H]1Oc1c(OC)cccc12.[Y].
What is the InChIKey of (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium?
The InChIKey is HIXGXJUMZIKRIC-KYSPHBLOSA-N. The full InChI is InChI=1S/C14H15O2.Y/c1-14-9-4-3-8-12(14)16-13-10(14)6-5-7-11(13)15-2;/h4-7,9,12H,1,3,8H2,2H3;/q-1;/t12-,14-;/m0./s1.
What are the key properties of (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium?
(4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium has a molecular weight of 304.18 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium is sourced from PubChem (CID 135041437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).