2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde

C16H24O2 — CID 175436346

IUPAC2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde
SMILESCc1c(O)c(C(C)(C)C)cc(C=O)c1C(C)(C)C
InChIInChI=1S/C16H24O2/c1-10-13(16(5,6)7)11(9-17)8-12(14(10)18)15(2,3)4/h8-9,18H,1-7H3
InChIKeyLTFBLNMKWWLJJS-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.11
Rot. Bonds1

About 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde

2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde (PubChem CID 175436346) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde.

Molecular Properties

Compound Name2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde
PubChem CID175436346
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde
SMILESCc1c(O)c(C(C)(C)C)cc(C=O)c1C(C)(C)C
InChIInChI=1S/C16H24O2/c1-10-13(16(5,6)7)11(9-17)8-12(14(10)18)15(2,3)4/h8-9,18H,1-7H3
InChIKeyLTFBLNMKWWLJJS-UHFFFAOYSA-N
XLogP4.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.11
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

4,5-ditert-butyl-2,3-dihydroxybenzaldehyde
CID 171118062
5-tert-butyl-2,4-dihydroxybenzaldehyde
CID 121218668
aluminum;5-tert-butyl-4-hydroxy-2-methylbenzaldehyde;trichloride
CID 158459499
3-bromo-5-tert-butyl-2-hydroxy-4-methoxybenzaldehyde
CID 19861815
CID 87768585
CID 87768585
3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde
CID 15531554
2,6-ditert-butyl-3-methyl-4-sulfanylphenol
CID 91874561
5-tert-butyl-2-methylbenzene-1,3-dicarbaldehyde
CID 10965619
4-tert-butyl-3,5-diformylbenzenesulfonic acid
CID 58734735
3-tert-butyl-2-hydroxy-5-[2-(4-hydroxyphenyl)ethynyl]benzaldehyde
CID 11709122
5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
CID 22082143
(3,5-ditert-butyl-4-hydroxy-2-methylphenyl) 2-methylpropanoate
CID 123527017

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde?
The IUPAC name of 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde (CID 175436346) is 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde.
What is the SMILES notation for 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde?
The canonical SMILES for 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde is Cc1c(O)c(C(C)(C)C)cc(C=O)c1C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde?
The InChIKey is LTFBLNMKWWLJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10-13(16(5,6)7)11(9-17)8-12(14(10)18)15(2,3)4/h8-9,18H,1-7H3.
What are the key properties of 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde?
2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde has a molecular weight of 248.37 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-4-hydroxy-3-methylbenzaldehyde is sourced from PubChem (CID 175436346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).