tert-butyl 3-tert-butyl-4-hydroxybenzoate

C15H22O3 — CID 86036715

IUPACtert-butyl 3-tert-butyl-4-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O3/c1-14(2,3)11-9-10(7-8-12(11)16)13(17)18-15(4,5)6/h7-9,16H,1-6H3
InChIKeyHLISRDWCEKIXJI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.64
Rot. Bonds1

About tert-butyl 3-tert-butyl-4-hydroxybenzoate

tert-butyl 3-tert-butyl-4-hydroxybenzoate (PubChem CID 86036715) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl 3-tert-butyl-4-hydroxybenzoate.

Molecular Properties

Compound Nametert-butyl 3-tert-butyl-4-hydroxybenzoate
PubChem CID86036715
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nametert-butyl 3-tert-butyl-4-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O3/c1-14(2,3)11-9-10(7-8-12(11)16)13(17)18-15(4,5)6/h7-9,16H,1-6H3
InChIKeyHLISRDWCEKIXJI-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-tert-butyl-4-hydroxyphenyl)methanone
CID 57066598
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 3-hydroxy-4-(4-methylphenyl)benzoate
CID 175791059
tert-butyl 4-ethenyl-3-hydroxybenzoate
CID 66624692
6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalene-2-carboxylic acid
CID 23021695
ditert-butyl 2-methylbenzene-1,4-dicarboxylate
CID 175662987
tert-butyl 4-bromo-3-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 138756988
methyl 3,4-ditert-butylbenzoate
CID 14173309
tert-butyl 4-(dimethylcarbamoyl)benzoate
CID 138647687
tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate
CID 70699579
tert-butyl 3-bromo-4-(trifluoromethyl)benzoate
CID 155289042
tert-butyl 3-[(carbamothioylhydrazinylidene)methyl]-4-hydroxybenzoate
CID 168535840

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-tert-butyl-4-hydroxybenzoate?
The IUPAC name of tert-butyl 3-tert-butyl-4-hydroxybenzoate (CID 86036715) is tert-butyl 3-tert-butyl-4-hydroxybenzoate.
What is the SMILES notation for tert-butyl 3-tert-butyl-4-hydroxybenzoate?
The canonical SMILES for tert-butyl 3-tert-butyl-4-hydroxybenzoate is CC(C)(C)OC(=O)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of tert-butyl 3-tert-butyl-4-hydroxybenzoate?
The InChIKey is HLISRDWCEKIXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2,3)11-9-10(7-8-12(11)16)13(17)18-15(4,5)6/h7-9,16H,1-6H3.
What are the key properties of tert-butyl 3-tert-butyl-4-hydroxybenzoate?
tert-butyl 3-tert-butyl-4-hydroxybenzoate has a molecular weight of 250.34 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-tert-butyl-4-hydroxybenzoate is sourced from PubChem (CID 86036715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).