2,3-ditert-butyl-4-methoxybenzaldehyde

C16H24O2 — CID 174455576

IUPAC2,3-ditert-butyl-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H24O2/c1-15(2,3)13-11(10-17)8-9-12(18-7)14(13)16(4,5)6/h8-10H,1-7H3
InChIKeyPNHZTBMXFAKFJS-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.10
Rot. Bonds2

About 2,3-ditert-butyl-4-methoxybenzaldehyde

2,3-ditert-butyl-4-methoxybenzaldehyde (PubChem CID 174455576) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,3-ditert-butyl-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2,3-ditert-butyl-4-methoxybenzaldehyde
PubChem CID174455576
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,3-ditert-butyl-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H24O2/c1-15(2,3)13-11(10-17)8-9-12(18-7)14(13)16(4,5)6/h8-10H,1-7H3
InChIKeyPNHZTBMXFAKFJS-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639
2-tert-butyl-3-methoxy-6-nitrobenzaldehyde
CID 118609286
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604
4-tert-butyl-5-methoxy-2-methylbenzaldehyde
CID 105459168
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde
CID 11701906
2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde
CID 11333181
3-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171021510
4-fluoro-2-methoxybenzaldehyde
CID 2774537

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-4-methoxybenzaldehyde?
The IUPAC name of 2,3-ditert-butyl-4-methoxybenzaldehyde (CID 174455576) is 2,3-ditert-butyl-4-methoxybenzaldehyde.
What is the SMILES notation for 2,3-ditert-butyl-4-methoxybenzaldehyde?
The canonical SMILES for 2,3-ditert-butyl-4-methoxybenzaldehyde is COc1ccc(C=O)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-4-methoxybenzaldehyde?
The InChIKey is PNHZTBMXFAKFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-15(2,3)13-11(10-17)8-9-12(18-7)14(13)16(4,5)6/h8-10H,1-7H3.
What are the key properties of 2,3-ditert-butyl-4-methoxybenzaldehyde?
2,3-ditert-butyl-4-methoxybenzaldehyde has a molecular weight of 248.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-4-methoxybenzaldehyde is sourced from PubChem (CID 174455576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).