1-phenylpropan-1-ol;zirconium

C9H11OZr- — CID 177444291

IUPAC1-phenylpropan-1-ol;zirconium
SMILES[CH2-]CC(O)c1ccccc1.[Zr]
InChIInChI=1S/C9H11O.Zr/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9-10H,1-2H2;/q-1;
InChIKeyDWFGEHPHQJGSAD-UHFFFAOYSA-N
MW226.41 g/mol
LogP1.94
Rot. Bonds2

About 1-phenylpropan-1-ol;zirconium

1-phenylpropan-1-ol;zirconium (PubChem CID 177444291) has the molecular formula C9H11OZr- and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-phenylpropan-1-ol;zirconium.

Molecular Properties

Compound Name1-phenylpropan-1-ol;zirconium
PubChem CID177444291
Molecular FormulaC9H11OZr-
Molecular Weight226.41 g/mol
Exact Mass224.99
IUPAC Name1-phenylpropan-1-ol;zirconium
SMILES[CH2-]CC(O)c1ccccc1.[Zr]
InChIInChI=1S/C9H11O.Zr/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9-10H,1-2H2;/q-1;
InChIKeyDWFGEHPHQJGSAD-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylpropan-1-ol;tungsten;yttrium
CID 58630734
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
1-phenyl-2-phosphanylethanol
CID 572080
(1R)-1,2-diphenylethanol
CID 1379022
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
(1S)-2-chloro-1-phenylethanol
CID 643323
1-phenylpropan-1-ol;hydrate
CID 156782934
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1,4,4-triphenylbutan-1-ol
CID 141326006
1-phenylpropane-1,3-diol
CID 572059
(2S)-2-bromo-2-deuterio-1-phenylethanol
CID 71507175
[(3R)-3-hydroxy-3-phenylpropyl]boronic acid
CID 55255593

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-1-ol;zirconium?
The IUPAC name of 1-phenylpropan-1-ol;zirconium (CID 177444291) is 1-phenylpropan-1-ol;zirconium.
What is the SMILES notation for 1-phenylpropan-1-ol;zirconium?
The canonical SMILES for 1-phenylpropan-1-ol;zirconium is [CH2-]CC(O)c1ccccc1.[Zr].
What is the InChIKey of 1-phenylpropan-1-ol;zirconium?
The InChIKey is DWFGEHPHQJGSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O.Zr/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9-10H,1-2H2;/q-1;.
What are the key properties of 1-phenylpropan-1-ol;zirconium?
1-phenylpropan-1-ol;zirconium has a molecular weight of 226.41 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-1-ol;zirconium is sourced from PubChem (CID 177444291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).