(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)

C24H30O4Y2-2 — CID 160745831

IUPAC(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)
SMILESCC[C@@H](O)[C@@H]1CCc2c[c-]ccc2O1.CC[C@H](O)[C@H]1CCc2c[c-]ccc2O1.[Y].[Y]
InChIInChI=1S/2C12H15O2.2Y/c2*1-2-10(13)12-8-7-9-5-3-4-6-11(9)14-12;;/h2*4-6,10,12-13H,2,7-8H2,1H3;;/q2*-1;;/t2*10-,12+;;/m10../s1
InChIKeyPFOPFDRHDUIJML-HXSDAFLKSA-N
MW560.31 g/mol
LogP3.90
Rot. Bonds4

About (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)

(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium) (PubChem CID 160745831) has the molecular formula C24H30O4Y2-2 and a molecular weight of 560.31 g/mol. Its IUPAC name is (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium).

Molecular Properties

Compound Name(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)
PubChem CID160745831
Molecular FormulaC24H30O4Y2-2
Molecular Weight560.31 g/mol
Exact Mass560.03
IUPAC Name(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)
SMILESCC[C@@H](O)[C@@H]1CCc2c[c-]ccc2O1.CC[C@H](O)[C@H]1CCc2c[c-]ccc2O1.[Y].[Y]
InChIInChI=1S/2C12H15O2.2Y/c2*1-2-10(13)12-8-7-9-5-3-4-6-11(9)14-12;;/h2*4-6,10,12-13H,2,7-8H2,1H3;;/q2*-1;;/t2*10-,12+;;/m10../s1
InChIKeyPFOPFDRHDUIJML-HXSDAFLKSA-N
XLogP3.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.31
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 124005720
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanol;yttrium
CID 59118209
(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
CID 69205412
cis-(1S,2R)-2-[(3Z)-3-[(E)-2,3-dimethoxyprop-1-enyl]hexa-3,5-dienoxy]cyclohexan-1-ol
CID 89519448
2-[3-[(3,5-dimethoxycyclohexa-2,4-dien-1-yl)methoxy]-6-(hydroxymethyl)-2-methoxy-6,9,10,10b-tetrahydro-1H-benzo[c]chromen-8-yl]propan-1-ol
CID 123633205
[(2R)-3,4,5,6-tetrahydro-2H-chromen-2-yl]methanol
CID 134311525
(2R,3S)-3-cyclohexa-1,3-dien-1-yl-3-[(1R)-6-ethoxycyclohex-3-en-1-yl]oxypropane-1,2-diol
CID 141776109
(2R,3S)-3-cyclohexa-1,3-dien-1-yl-3-[(6S)-6-methylcyclohexa-1,3,4-trien-1-yl]oxypropane-1,2-diol
CID 141776110
[(2R,5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene
CID 142233542
[(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene
CID 142233546
methane;(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)
CID 157161955
2-Ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;octakis(yttrium)
CID 157965377

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)?
The IUPAC name of (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium) (CID 160745831) is (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium).
What is the SMILES notation for (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)?
The canonical SMILES for (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium) is CC[C@@H](O)[C@@H]1CCc2c[c-]ccc2O1.CC[C@H](O)[C@H]1CCc2c[c-]ccc2O1.[Y].[Y].
What is the InChIKey of (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)?
The InChIKey is PFOPFDRHDUIJML-HXSDAFLKSA-N. The full InChI is InChI=1S/2C12H15O2.2Y/c2*1-2-10(13)12-8-7-9-5-3-4-6-11(9)14-12;;/h2*4-6,10,12-13H,2,7-8H2,1H3;;/q2*-1;;/t2*10-,12+;;/m10../s1.
What are the key properties of (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)?
(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium) has a molecular weight of 560.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium) is sourced from PubChem (CID 160745831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).