3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium

C15H22HfO3 — CID 88921612

IUPAC3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
SMILESCC(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)C)c1.[Hf]
InChIInChI=1S/C15H22O3.Hf/c1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h7-8,16H,1-6H3,(H,17,18);
InChIKeyKICCOBSQLKVXQP-UHFFFAOYSA-N
MW428.83 g/mol
LogP3.68
Rot. Bonds1

About 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium

3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium (PubChem CID 88921612) has the molecular formula C15H22HfO3 and a molecular weight of 428.83 g/mol. Its IUPAC name is 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium.

Molecular Properties

Compound Name3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
PubChem CID88921612
Molecular FormulaC15H22HfO3
Molecular Weight428.83 g/mol
Exact Mass430.10
IUPAC Name3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
SMILESCC(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)C)c1.[Hf]
InChIInChI=1S/C15H22O3.Hf/c1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h7-8,16H,1-6H3,(H,17,18);
InChIKeyKICCOBSQLKVXQP-UHFFFAOYSA-N
XLogP3.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium?
The IUPAC name of 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium (CID 88921612) is 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium.
What is the SMILES notation for 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium?
The canonical SMILES for 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium is CC(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)C)c1.[Hf].
What is the InChIKey of 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium?
The InChIKey is KICCOBSQLKVXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3.Hf/c1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h7-8,16H,1-6H3,(H,17,18);.
What are the key properties of 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium?
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium has a molecular weight of 428.83 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium is sourced from PubChem (CID 88921612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).