1H-inden-1-ylmethanol;zirconium(3+);trichloride

C10H10Cl3OZr — CID 160514692

IUPAC1H-inden-1-ylmethanol;zirconium(3+);trichloride
SMILESOCC1C=Cc2ccccc21.[Cl-].[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C10H10O.3ClH.Zr/c11-7-9-6-5-8-3-1-2-4-10(8)9;;;;/h1-6,9,11H,7H2;3*1H;/q;;;;+3/p-3
InChIKeyDFLZUSOPTOSIEL-UHFFFAOYSA-K
MW343.77 g/mol
LogP-7.20
Rot. Bonds1

About 1H-inden-1-ylmethanol;zirconium(3+);trichloride

1H-inden-1-ylmethanol;zirconium(3+);trichloride (PubChem CID 160514692) has the molecular formula C10H10Cl3OZr and a molecular weight of 343.77 g/mol. Its IUPAC name is 1H-inden-1-ylmethanol;zirconium(3+);trichloride.

Molecular Properties

Compound Name1H-inden-1-ylmethanol;zirconium(3+);trichloride
PubChem CID160514692
Molecular FormulaC10H10Cl3OZr
Molecular Weight343.77 g/mol
Exact Mass340.88
IUPAC Name1H-inden-1-ylmethanol;zirconium(3+);trichloride
SMILESOCC1C=Cc2ccccc21.[Cl-].[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C10H10O.3ClH.Zr/c11-7-9-6-5-8-3-1-2-4-10(8)9;;;;/h1-6,9,11H,7H2;3*1H;/q;;;;+3/p-3
InChIKeyDFLZUSOPTOSIEL-UHFFFAOYSA-K
XLogP-7.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 5-7.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ylmethanol;zirconium(3+);trichloride?
The IUPAC name of 1H-inden-1-ylmethanol;zirconium(3+);trichloride (CID 160514692) is 1H-inden-1-ylmethanol;zirconium(3+);trichloride.
What is the SMILES notation for 1H-inden-1-ylmethanol;zirconium(3+);trichloride?
The canonical SMILES for 1H-inden-1-ylmethanol;zirconium(3+);trichloride is OCC1C=Cc2ccccc21.[Cl-].[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 1H-inden-1-ylmethanol;zirconium(3+);trichloride?
The InChIKey is DFLZUSOPTOSIEL-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H10O.3ClH.Zr/c11-7-9-6-5-8-3-1-2-4-10(8)9;;;;/h1-6,9,11H,7H2;3*1H;/q;;;;+3/p-3.
What are the key properties of 1H-inden-1-ylmethanol;zirconium(3+);trichloride?
1H-inden-1-ylmethanol;zirconium(3+);trichloride has a molecular weight of 343.77 g/mol, XLogP of -7.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ylmethanol;zirconium(3+);trichloride is sourced from PubChem (CID 160514692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).