phenol;tantalum

C30H30O5Ta — CID 19915613

IUPACphenol;tantalum
SMILESOc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.[Ta]
InChIInChI=1S/5C6H6O.Ta/c5*7-6-4-2-1-3-5-6;/h5*1-5,7H;
InChIKeyUCPYHEQXFDUCLP-UHFFFAOYSA-N
MW651.51 g/mol
LogP6.96
Rot. Bonds

About phenol;tantalum

phenol;tantalum (PubChem CID 19915613) has the molecular formula C30H30O5Ta and a molecular weight of 651.51 g/mol. Its IUPAC name is phenol;tantalum.

Molecular Properties

Compound Namephenol;tantalum
PubChem CID19915613
Molecular FormulaC30H30O5Ta
Molecular Weight651.51 g/mol
Exact Mass651.16
IUPAC Namephenol;tantalum
SMILESOc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.[Ta]
InChIInChI=1S/5C6H6O.Ta/c5*7-6-4-2-1-3-5-6;/h5*1-5,7H;
InChIKeyUCPYHEQXFDUCLP-UHFFFAOYSA-N
XLogP6.96
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.51
LogP ≤ 56.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenol;tantalum?
The IUPAC name of phenol;tantalum (CID 19915613) is phenol;tantalum.
What is the SMILES notation for phenol;tantalum?
The canonical SMILES for phenol;tantalum is Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.[Ta].
What is the InChIKey of phenol;tantalum?
The InChIKey is UCPYHEQXFDUCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H6O.Ta/c5*7-6-4-2-1-3-5-6;/h5*1-5,7H;.
What are the key properties of phenol;tantalum?
phenol;tantalum has a molecular weight of 651.51 g/mol, XLogP of 6.96, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;tantalum is sourced from PubChem (CID 19915613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).