benzene;1-phenoxypropan-2-ol;yttrium

C15H16O2Y-2 — CID 59396811

IUPACbenzene;1-phenoxypropan-2-ol;yttrium
SMILES[CH2-]C(O)COc1ccccc1.[Y].[c-]1ccccc1
InChIInChI=1S/C9H11O2.C6H5.Y/c1-8(10)7-11-9-5-3-2-4-6-9;1-2-4-6-5-3-1;/h2-6,8,10H,1,7H2;1-5H;/q2*-1;
InChIKeyJRKJTTUWWUHZQY-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.74
Rot. Bonds3

About benzene;1-phenoxypropan-2-ol;yttrium

benzene;1-phenoxypropan-2-ol;yttrium (PubChem CID 59396811) has the molecular formula C15H16O2Y-2 and a molecular weight of 317.20 g/mol. Its IUPAC name is benzene;1-phenoxypropan-2-ol;yttrium.

Molecular Properties

Compound Namebenzene;1-phenoxypropan-2-ol;yttrium
PubChem CID59396811
Molecular FormulaC15H16O2Y-2
Molecular Weight317.20 g/mol
Exact Mass317.02
IUPAC Namebenzene;1-phenoxypropan-2-ol;yttrium
SMILES[CH2-]C(O)COc1ccccc1.[Y].[c-]1ccccc1
InChIInChI=1S/C9H11O2.C6H5.Y/c1-8(10)7-11-9-5-3-2-4-6-9;1-2-4-6-5-3-1;/h2-6,8,10H,1,7H2;1-5H;/q2*-1;
InChIKeyJRKJTTUWWUHZQY-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
ethane;1-phenoxypropan-2-ol
CID 90926921
3-phenoxypropane-1,2-diol
CID 10857
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
actinium;3-phenoxypropane-1,2-diol
CID 22981458
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol
CID 14026776
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091

Frequently Asked Questions

What is the IUPAC name of benzene;1-phenoxypropan-2-ol;yttrium?
The IUPAC name of benzene;1-phenoxypropan-2-ol;yttrium (CID 59396811) is benzene;1-phenoxypropan-2-ol;yttrium.
What is the SMILES notation for benzene;1-phenoxypropan-2-ol;yttrium?
The canonical SMILES for benzene;1-phenoxypropan-2-ol;yttrium is [CH2-]C(O)COc1ccccc1.[Y].[c-]1ccccc1.
What is the InChIKey of benzene;1-phenoxypropan-2-ol;yttrium?
The InChIKey is JRKJTTUWWUHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.C6H5.Y/c1-8(10)7-11-9-5-3-2-4-6-9;1-2-4-6-5-3-1;/h2-6,8,10H,1,7H2;1-5H;/q2*-1;.
What are the key properties of benzene;1-phenoxypropan-2-ol;yttrium?
benzene;1-phenoxypropan-2-ol;yttrium has a molecular weight of 317.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-phenoxypropan-2-ol;yttrium is sourced from PubChem (CID 59396811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).