5-tert-butyl-2,4-dihydroxybenzaldehyde

C11H14O3 — CID 121218668

IUPAC5-tert-butyl-2,4-dihydroxybenzaldehyde
SMILESCC(C)(C)c1cc(C=O)c(O)cc1O
InChIInChI=1S/C11H14O3/c1-11(2,3)8-4-7(6-12)9(13)5-10(8)14/h4-6,13-14H,1-3H3
InChIKeySWFJVKQMGQNEGQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.21
Rot. Bonds1

About 5-tert-butyl-2,4-dihydroxybenzaldehyde

5-tert-butyl-2,4-dihydroxybenzaldehyde (PubChem CID 121218668) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-tert-butyl-2,4-dihydroxybenzaldehyde.

Molecular Properties

Compound Name5-tert-butyl-2,4-dihydroxybenzaldehyde
PubChem CID121218668
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-tert-butyl-2,4-dihydroxybenzaldehyde
SMILESCC(C)(C)c1cc(C=O)c(O)cc1O
InChIInChI=1S/C11H14O3/c1-11(2,3)8-4-7(6-12)9(13)5-10(8)14/h4-6,13-14H,1-3H3
InChIKeySWFJVKQMGQNEGQ-UHFFFAOYSA-N
XLogP2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

aluminum;5-tert-butyl-4-hydroxy-2-methylbenzaldehyde;trichloride
CID 158459499
4,5-ditert-butyl-2,3-dihydroxybenzaldehyde
CID 171118062
2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde
CID 175436346
3-(2,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 74015197
2,4-ditert-butyl-6-hydroxybenzaldehyde
CID 12815585
3-bromo-5-tert-butyl-2-hydroxy-4-methoxybenzaldehyde
CID 19861815
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
4-tert-butyl-6-pyrrol-1-ylbenzene-1,3-diol
CID 102002847
5-tert-butyl-2-methylbenzene-1,3-dicarbaldehyde
CID 10965619
2,4-ditert-butyl-5-methylphenol
CID 10346
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
CID 23345326
2-tert-butyl-5-ethylbenzene-1,4-diol
CID 13097614

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,4-dihydroxybenzaldehyde?
The IUPAC name of 5-tert-butyl-2,4-dihydroxybenzaldehyde (CID 121218668) is 5-tert-butyl-2,4-dihydroxybenzaldehyde.
What is the SMILES notation for 5-tert-butyl-2,4-dihydroxybenzaldehyde?
The canonical SMILES for 5-tert-butyl-2,4-dihydroxybenzaldehyde is CC(C)(C)c1cc(C=O)c(O)cc1O.
What is the InChIKey of 5-tert-butyl-2,4-dihydroxybenzaldehyde?
The InChIKey is SWFJVKQMGQNEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,3)8-4-7(6-12)9(13)5-10(8)14/h4-6,13-14H,1-3H3.
What are the key properties of 5-tert-butyl-2,4-dihydroxybenzaldehyde?
5-tert-butyl-2,4-dihydroxybenzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,4-dihydroxybenzaldehyde is sourced from PubChem (CID 121218668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).