2,4-ditert-butyl-6-hydroxybenzaldehyde

C15H22O2 — CID 12815585

IUPAC2,4-ditert-butyl-6-hydroxybenzaldehyde
SMILESCC(C)(C)c1cc(O)c(C=O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O2/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-9,17H,1-6H3
InChIKeyWIYKWFYRYREGTD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.80
Rot. Bonds1

About 2,4-ditert-butyl-6-hydroxybenzaldehyde

2,4-ditert-butyl-6-hydroxybenzaldehyde (PubChem CID 12815585) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,4-ditert-butyl-6-hydroxybenzaldehyde
PubChem CID12815585
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,4-ditert-butyl-6-hydroxybenzaldehyde
SMILESCC(C)(C)c1cc(O)c(C=O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O2/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-9,17H,1-6H3
InChIKeyWIYKWFYRYREGTD-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-hydroxy-3-(2,4,6-tritert-butylphenyl)benzaldehyde
CID 102018966
5-tert-butyl-2,4-dihydroxybenzaldehyde
CID 121218668
1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde
CID 15418880
3,5-ditert-butyl-2-[[3-tert-butyl-5-(1-hydroxy-2-methylpropan-2-yl)phenyl]methyliminomethyl]phenol
CID 141318078
2-[[bis[(2,4-ditert-butyl-6-hydroxyphenyl)methyl]amino]methyl]-3,5-ditert-butylphenol
CID 123257913
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
4,6-ditert-butyl-2-oxopyran-3-carbaldehyde
CID 12716455
6-tert-butyl-2,4-dimethyl-3-sulfanylbenzaldehyde
CID 88922269
actinium;2,4,6-trihydroxybenzaldehyde
CID 23534158
(2,4,6-tritert-butylphenyl) methanesulfonate
CID 87391477
CID 158661910
CID 158661910
CID 135046337
CID 135046337

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-hydroxybenzaldehyde?
The IUPAC name of 2,4-ditert-butyl-6-hydroxybenzaldehyde (CID 12815585) is 2,4-ditert-butyl-6-hydroxybenzaldehyde.
What is the SMILES notation for 2,4-ditert-butyl-6-hydroxybenzaldehyde?
The canonical SMILES for 2,4-ditert-butyl-6-hydroxybenzaldehyde is CC(C)(C)c1cc(O)c(C=O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-hydroxybenzaldehyde?
The InChIKey is WIYKWFYRYREGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-9,17H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-hydroxybenzaldehyde?
2,4-ditert-butyl-6-hydroxybenzaldehyde has a molecular weight of 234.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-hydroxybenzaldehyde is sourced from PubChem (CID 12815585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).