5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde

C15H22O2 — CID 22082143

IUPAC5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
SMILESCCC(C)c1cc(C=O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O2/c1-6-10(2)11-7-12(9-16)14(17)13(8-11)15(3,4)5/h7-10,17H,6H2,1-5H3
InChIKeyLOIORQMUWOYGKU-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.02
Rot. Bonds3

About 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde

5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde (PubChem CID 22082143) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
PubChem CID22082143
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
SMILESCCC(C)c1cc(C=O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O2/c1-6-10(2)11-7-12(9-16)14(17)13(8-11)15(3,4)5/h7-10,17H,6H2,1-5H3
InChIKeyLOIORQMUWOYGKU-UHFFFAOYSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.02
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

4-butan-2-yl-2-[[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]methyliminomethyl]-6-tert-butylphenol
CID 137091614
4-butan-2-yl-2-[3-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-tert-butylphenol
CID 137166474
4-butan-2-yl-2-[[4-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol
CID 137035642
4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol
CID 144959528
5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide
CID 87743869
4-butan-2-yl-2-hydroxybenzaldehyde
CID 10236044
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611
2,6-ditert-butyl-4-dodecan-2-ylphenol
CID 88842140
2,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-ethylheptane-3,5-dione
CID 175451687
3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde
CID 15531554
bis(3-tert-butyl-5-formyl-4-hydroxyphenyl) 2,6-dichloroheptanedioate
CID 101113405

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde?
The IUPAC name of 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde (CID 22082143) is 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde?
The canonical SMILES for 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde is CCC(C)c1cc(C=O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde?
The InChIKey is LOIORQMUWOYGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-10(2)11-7-12(9-16)14(17)13(8-11)15(3,4)5/h7-10,17H,6H2,1-5H3.
What are the key properties of 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde?
5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde has a molecular weight of 234.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde is sourced from PubChem (CID 22082143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).