2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium)

C13H17O2Y2- — CID 161019858

IUPAC2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium)
SMILESC=C(CC(CO)CO)c1[c-]cc(C)cc1.[Y].[Y]
InChIInChI=1S/C13H17O2.2Y/c1-10-3-5-13(6-4-10)11(2)7-12(8-14)9-15;;/h3-5,12,14-15H,2,7-9H2,1H3;;/q-1;;
InChIKeyJJHRPOSDDHDFGF-UHFFFAOYSA-N
MW383.09 g/mol
LogP1.79
Rot. Bonds5

About 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium)

2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium) (PubChem CID 161019858) has the molecular formula C13H17O2Y2- and a molecular weight of 383.09 g/mol. Its IUPAC name is 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium).

Molecular Properties

Compound Name2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium)
PubChem CID161019858
Molecular FormulaC13H17O2Y2-
Molecular Weight383.09 g/mol
Exact Mass382.94
IUPAC Name2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium)
SMILESC=C(CC(CO)CO)c1[c-]cc(C)cc1.[Y].[Y]
InChIInChI=1S/C13H17O2.2Y/c1-10-3-5-13(6-4-10)11(2)7-12(8-14)9-15;;/h3-5,12,14-15H,2,7-9H2,1H3;;/q-1;;
InChIKeyJJHRPOSDDHDFGF-UHFFFAOYSA-N
XLogP1.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.09
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylbenzene-6-id-1-yl)butanoic acid;tungsten(2+)
CID 58005437
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
CID 156800178
CID 156800178
2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol
CID 106870597
1-(4-methylphenyl)sulfanylethane-1,2-diol
CID 71411750
2-hydroperoxy-3-(4-methylphenyl)but-3-en-1-ol
CID 10997889
4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol
CID 117236908
ethanol;methanol;1,4-xylene
CID 70196397
1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
(3S)-4-hydroxy-3-(4-methylphenyl)butan-2-one
CID 122606253

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium)?
The IUPAC name of 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium) (CID 161019858) is 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium).
What is the SMILES notation for 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium)?
The canonical SMILES for 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium) is C=C(CC(CO)CO)c1[c-]cc(C)cc1.[Y].[Y].
What is the InChIKey of 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium)?
The InChIKey is JJHRPOSDDHDFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O2.2Y/c1-10-3-5-13(6-4-10)11(2)7-12(8-14)9-15;;/h3-5,12,14-15H,2,7-9H2,1H3;;/q-1;;.
What are the key properties of 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium)?
2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium) has a molecular weight of 383.09 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylbenzene-6-id-1-yl)prop-2-enyl]propane-1,3-diol;bis(yttrium) is sourced from PubChem (CID 161019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).