3,5-ditert-butyl-4-hydroxybenzoic acid

C15H22O3 — CID 15007

IUPAC3,5-ditert-butyl-4-hydroxybenzoic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)
InChIKeyYEXOWHQZWLCHHD-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.69
Rot. Bonds1

About 3,5-ditert-butyl-4-hydroxybenzoic acid

3,5-ditert-butyl-4-hydroxybenzoic acid (PubChem CID 15007) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3,5-ditert-butyl-4-hydroxybenzoic acid
PubChem CID15007
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3,5-ditert-butyl-4-hydroxybenzoic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)
InChIKeyYEXOWHQZWLCHHD-UHFFFAOYSA-N
XLogP3.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.69
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-4-hydroxybenzoic acid?
The IUPAC name of 3,5-ditert-butyl-4-hydroxybenzoic acid (CID 15007) is 3,5-ditert-butyl-4-hydroxybenzoic acid.
What is the SMILES notation for 3,5-ditert-butyl-4-hydroxybenzoic acid?
The canonical SMILES for 3,5-ditert-butyl-4-hydroxybenzoic acid is CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O.
What is the InChIKey of 3,5-ditert-butyl-4-hydroxybenzoic acid?
The InChIKey is YEXOWHQZWLCHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18).
What are the key properties of 3,5-ditert-butyl-4-hydroxybenzoic acid?
3,5-ditert-butyl-4-hydroxybenzoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.69, 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-4-hydroxybenzoic acid is sourced from PubChem (CID 15007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).